Getting Started: PyProcar’s Fermi Surface 3D Visualization¶
This tutorial provides a comprehensive introduction to plotting 3D Fermi surfaces using PyProcar’s FermiHandler class. You’ll learn about the object-oriented approach, visualization modes, interactive features, and advanced configurations.
What You’ll Learn¶
FermiHandler class and object-oriented approach
Different visualization modes for Fermi surface analysis
Interactive features like sliders and cross-sections
Different properties (Fermi speed, velocity, effective mass)
Advanced plotting methods and their configurations
Saving options for different output formats
Prerequisites¶
Basic understanding of Fermi surfaces and electronic band structures
PyProcar installed in your environment
VASP calculation data with sufficient k-point sampling
3D visualization capabilities (pyvista)
Overview of FermiHandler Approach¶
PyProcar uses an object-oriented approach for 3D Fermi surface visualization through the FermiHandler class:
# Step 1: Create FermiHandler object
fermiHandler = pyprocar.FermiHandler(
code='vasp', # DFT code used
dirname='.', # Directory with calculation files
apply_symmetry=True # Apply symmetry operations
)
# Step 2: Call plotting methods
fermiHandler.plot_fermi_surface(mode='plain', show=True)
1. Setup and Data Loading¶
Let’s start by importing PyProcar and loading example data. We’ll use SrVO3 Fermi surface data from a VASP calculation to demonstrate all the features. For Fermi surface calculations, we need a dense k-point mesh that includes the Fermi energy.
[18]:
# Import required libraries
from pathlib import Path
import pyprocar
import pyvista as pv
pv.set_jupyter_backend('static')
CURRENT_DIR = Path(".").resolve()
REL_PATH = "data/examples/fermi3d/non-spin-polarized"
pyprocar.download_from_hf(relpath=REL_PATH, output_path=CURRENT_DIR)
DATA_DIR = CURRENT_DIR / REL_PATH
print(f"Data downloaded to: {DATA_DIR}")
Data already exists at C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-spin-polarized
Data downloaded to: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-spin-polarized
2. FermiHandler Class Overview¶
The FermiHandler class is the main interface for 3D Fermi surface visualization. Here’s how it works:
Creating a FermiHandler Object¶
Argument |
Type |
Description |
Example |
|---|---|---|---|
|
str |
DFT software used |
|
|
str |
Path to calculation files |
|
|
bool |
Apply symmetry operations |
|
|
float |
Fermi energy (eV) |
|
Main Plotting Methods¶
Method |
Purpose |
Key Arguments |
|---|---|---|
|
Basic Fermi surface plotting |
|
|
Interactive energy slider |
|
|
Animated GIF creation |
|
|
Cross-section analysis |
|
3. Creating Your First FermiHandler¶
Let’s start by creating a FermiHandler object and exploring the basic functionality. This object will handle all the data loading and processing.
[19]:
# Create FermiHandler object - this loads and processes the data
fermiHandler = pyprocar.FermiHandler(
code="vasp", # Required: DFT software used
dirname=DATA_DIR, # Required: Directory with calculation files
apply_symmetry=True, # Apply symmetry operations (if available)
use_cache=False,
fermi=5.3017, # Fermi energy in eV
verbose=0
)
print("✅ FermiHandler object created successfully!")
print(" - Data loaded and processed")
print(" - Ready for 3D visualization")
____ ____
| _ \ _ _| _ \ _ __ ___ ___ __ _ _ __
| |_) | | | | |_) | '__/ _ \ / __/ _` | '__|
| __/| |_| | __/| | | (_) | (_| (_| | |
|_| \__, |_| |_| \___/ \___\__,_|_|
|___/
A Python library for electronic structure pre/post-processing.
Version 6.4.6 created on Mar 6th, 2025
Please cite:
- Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero.,
PyProcar: A Python library for electronic structure pre/post-processing.,
Computer Physics Communications 251, 107080 (2020).
- L. Lang, P. Tavadze, A. Tellez, E. Bousquet, H. Xu, F. Muñoz, N. Vasquez, U. Herath, and A. H. Romero,
Expanding PyProcar for new features, maintainability, and reliability.,
Computer Physics Communications 297, 109063 (2024).
Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah
Parsing KPOINTS file: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-spin-polarized\KPOINTS
[INFO] 2025-06-15 08:53:09 - pyprocar.scripts.scriptFermiHandler[104][__init__] - Detected symmetry operations ((48, 3, 3)). Applying to ebs to get full BZ
[DEBUG] 2025-06-15 08:53:09 - pyprocar.core.ebs[1213][ibz2fbz] - Number of kpoints in ibz: 286
[DEBUG] 2025-06-15 08:53:09 - pyprocar.core.ebs[1214][ibz2fbz] - Number of rotations: 48
[DEBUG] 2025-06-15 08:53:09 - pyprocar.core.ebs[1270][ibz2fbz] - Number of kpoints in full BZ: 9261
✅ FermiHandler object created successfully!
- Data loaded and processed
- Ready for 3D visualization
4. Basic Fermi Surface Plotting - Plain Mode¶
Now let’s create our first 3D Fermi surface plot using the plot_fermi_surface() method in plain mode. This shows the basic isosurfaces at the Fermi energy with different colors for different bands.
[20]:
# Plot basic Fermi surface in plain mode
fermiHandler.plot_fermi_surface(
mode="plain",
show=True
)
print("✅ Plain mode: Basic 3D Fermi surface with band colors")
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
[INFO] 2025-06-15 08:53:09 - pyprocar.plotter.fermi3d_plot[297][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:53:10 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:53:10 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1416 points
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:10 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f61ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1416
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 270
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1686
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 222
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1908
[INFO] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[442][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 08:53:10 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[474][add_surface] - Adding surface with scalars: bands
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[477][add_surface] - surface:
FermiSurface3D (0x18b61f628c0)
N Cells: 3576
N Points: 1908
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 3
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[478][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1908,) SCALARS
bands float64 (1908, 4)
[DEBUG] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[479][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 08:53:10 - pyprocar.plotter.fermi3d_plot[796][show] - Showing plot
To save an image of where the camera is at time when the window closes,
set the `save_2d` parameter and set `plotter_camera_pos` to the following:
[(0.5022336165091649, 0.5022336165091649, 0.5022336165091649),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
✅ Plain mode: Basic 3D Fermi surface with band colors
5. Visualization Modes Overview¶
PyProcar offers several visualization modes for 3D Fermi surface analysis:
Mode |
Purpose |
Key Arguments |
Use Case |
|---|---|---|---|
|
Basic Fermi surface |
None extra |
General overview, band colors |
|
Projected Fermi surface |
|
Analyzing orbital/atomic contributions |
|
Spin-polarized surface |
|
Spin-resolved analysis |
6. Parametric Mode - Projected Fermi Surfaces¶
Parametric mode shows atomic/orbital contributions on the Fermi surface through color mapping.
Atom Indexing Reference¶
The atoms are index by the order their listed in the input file
Sr: 0
V: 1
O: 2,3,4
Orbital Indexing Reference¶
s: 0
p: 1, 2, 3 (px, py, pz)
d: 4, 5, 6, 7, 8 (d orbitals)
f: 9, 10, 11, 12, 13, 14, 15 (f orbitals)
[21]:
# Parametric mode - showing orbital contributions on Fermi surface
atoms = [1] # Atom index for Vanadium atom
orbitals = [4,5,6,7,8] # d orbitals (indices 4-8)
spins = [0] # Spin channel
fermiHandler.plot_fermi_surface(
mode="parametric",
atoms=atoms,
orbitals=orbitals,
spins=spins,
show=True
)
print("📊 Parametric mode: Color mapping shows d-orbital contributions on Fermi surface")
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[297][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [0]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[83][_process_data_for_parametric_mode] - ___Processing data for parametric mode___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[106][_process_data_for_parametric_mode] - Orbitals considered: [4, 5, 6, 7, 8]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[107][_process_data_for_parametric_mode] - Atoms considered: [1]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[108][_process_data_for_parametric_mode] - Final spins: [0]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[109][_process_data_for_parametric_mode] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[110][_process_data_for_parametric_mode] - First kpoint and bands: [0.]
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[111][_process_data_for_parametric_mode] - ____End of parametric mode processing___
[DEBUG] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:53:12 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:53:12 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:53:12 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1416 points
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b61f62260)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1416
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 270
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1686
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 222
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1908
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:53:13 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:53:32 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:53:32 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51411
[DEBUG] 2025-06-15 08:53:32 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51411
[DEBUG] 2025-06-15 08:53:41 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:53:41 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 50643
[DEBUG] 2025-06-15 08:53:41 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 50643
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[442][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[474][add_surface] - Adding surface with scalars: scalars
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[477][add_surface] - surface:
FermiSurface3D (0x18b61f61060)
N Cells: 3576
N Points: 1908
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 4
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[478][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1908,) SCALARS
bands float64 (1908, 4)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[479][add_surface] - surface.cell_data:
['band_index', 'scalars']
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[796][show] - Showing plot
To save an image of where the camera is at time when the window closes,
set the `save_2d` parameter and set `plotter_camera_pos` to the following:
[(0.5022336165091649, 0.5022336165091649, 0.5022336165091649),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
📊 Parametric mode: Color mapping shows d-orbital contributions on Fermi surface
8. Interactive Features - Sliders and Cross-Sections¶
Fermi3D offers powerful interactive features for detailed analysis:
Available Interactive Features¶
Isoslider: Vary energy around Fermi level to see how surfaces evolve
Cross-sections: Cut through the Fermi surface to see 2D slices
Box widget: Interactive box for complex cross-sections
Rotation and zoom: Full 3D interaction with the surface
[22]:
# Isoslider - interactive energy slider
print("Interactive energy slider:")
iso_range = 0.5 # Energy range: ±0.5 eV around Fermi
iso_surfaces = 10 # Number of surfaces to calculate
fermiHandler.plot_fermi_isoslider(
iso_range=iso_range,
iso_surfaces=iso_surfaces,
iso_values=None, # You can also provide exact isovalues
mode="parametric",
atoms=[1],
orbitals=[4,5,6,7,8],
spins=[0],
show=True
)
Interactive energy slider:
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[297][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [0]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[83][_process_data_for_parametric_mode] - ___Processing data for parametric mode___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[106][_process_data_for_parametric_mode] - Orbitals considered: [4, 5, 6, 7, 8]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[107][_process_data_for_parametric_mode] - Atoms considered: [1]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[108][_process_data_for_parametric_mode] - Final spins: [0]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[109][_process_data_for_parametric_mode] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[110][_process_data_for_parametric_mode] - First kpoint and bands: [0.]
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[111][_process_data_for_parametric_mode] - ____End of parametric mode processing___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.0517
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:53:50 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:53:50 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 912 points
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 126 points
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 78 points
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5be20)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.0517
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 912
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 126
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1038
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 78
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1116
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:53:50 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:53:51 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64803
[DEBUG] 2025-06-15 08:53:51 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64803
[DEBUG] 2025-06-15 08:54:05 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:05 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 47847
[DEBUG] 2025-06-15 08:54:05 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 47847
[DEBUG] 2025-06-15 08:54:13 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:13 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 47229
[DEBUG] 2025-06-15 08:54:13 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 47229
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:54:21 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:54:21 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.0517__
[DEBUG] 2025-06-15 08:54:21 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (1116, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1116,) SCALARS
[DEBUG] 2025-06-15 08:54:21 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1116,) SCALARS
[INFO] 2025-06-15 08:54:21 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:54:21 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.107255555555556
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:54:21 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:54:21 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1104 points
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 150 points
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 126 points
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58460)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.107255555555556
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1104
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 150
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1254
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 126
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1380
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:54:21 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:54:37 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:37 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 48693
[DEBUG] 2025-06-15 08:54:37 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 48693
[DEBUG] 2025-06-15 08:54:45 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:45 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 48177
[DEBUG] 2025-06-15 08:54:45 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 48177
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:54:52 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:54:52 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.107255555555556__
[DEBUG] 2025-06-15 08:54:52 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (1380, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1380,) SCALARS
[DEBUG] 2025-06-15 08:54:52 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1380,) SCALARS
[INFO] 2025-06-15 08:54:52 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:54:52 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:54:52 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.162811111111111
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:54:52 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:54:52 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:52 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:52 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 150 points
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 126 points
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f58ee0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.162811111111111
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 150
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1374
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 126
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1500
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:54:53 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:55:09 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:09 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 49389
[DEBUG] 2025-06-15 08:55:09 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 49389
[DEBUG] 2025-06-15 08:55:17 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:17 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 48675
[DEBUG] 2025-06-15 08:55:17 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 48675
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:55:25 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:55:25 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.162811111111111__
[DEBUG] 2025-06-15 08:55:25 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (1500, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1500,) SCALARS
[DEBUG] 2025-06-15 08:55:25 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1500,) SCALARS
[INFO] 2025-06-15 08:55:25 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:55:25 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.218366666666667
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:55:25 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:55:25 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1248 points
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 150 points
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 150 points
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b62f5a4a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.218366666666667
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1248
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 150
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1398
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 150
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1548
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:55:25 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:55:42 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:42 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 49911
[DEBUG] 2025-06-15 08:55:42 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 49911
[DEBUG] 2025-06-15 08:55:50 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:50 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 49419
[DEBUG] 2025-06-15 08:55:50 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 49419
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:55:58 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:55:58 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.218366666666667__
[DEBUG] 2025-06-15 08:55:58 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (1548, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1548,) SCALARS
[DEBUG] 2025-06-15 08:55:58 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1548,) SCALARS
[INFO] 2025-06-15 08:55:58 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:55:58 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.273922222222223
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:55:58 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:55:58 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1320 points
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b6445d000)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.273922222222223
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1320
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 270
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1590
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 222
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1812
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:55:58 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:56:15 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:56:15 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51035
[DEBUG] 2025-06-15 08:56:15 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51035
[DEBUG] 2025-06-15 08:56:23 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:56:23 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 50427
[DEBUG] 2025-06-15 08:56:23 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 50427
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:56:32 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:56:32 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.273922222222223__
[DEBUG] 2025-06-15 08:56:32 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (1812, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1812,) SCALARS
[DEBUG] 2025-06-15 08:56:32 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1812,) SCALARS
[INFO] 2025-06-15 08:56:32 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:56:32 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.329477777777778
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:56:32 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:56:32 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1632 points
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b64504820)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.329477777777778
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1632
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1926
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 222
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2148
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:56:32 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:56:50 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:56:50 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51795
[DEBUG] 2025-06-15 08:56:50 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51795
[DEBUG] 2025-06-15 08:56:59 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:56:59 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51027
[DEBUG] 2025-06-15 08:56:59 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51027
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:57:08 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:57:08 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.329477777777778__
[DEBUG] 2025-06-15 08:57:08 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (2148, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[DEBUG] 2025-06-15 08:57:08 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[INFO] 2025-06-15 08:57:08 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:57:08 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.385033333333333
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:57:08 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:57:08 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1584 points
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b63af46a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.385033333333333
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1584
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1878
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 270
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2148
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:57:08 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:57:27 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:57:27 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 52251
[DEBUG] 2025-06-15 08:57:27 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 52251
[DEBUG] 2025-06-15 08:57:36 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:57:36 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51651
[DEBUG] 2025-06-15 08:57:36 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51651
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:57:44 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:57:44 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.385033333333333__
[DEBUG] 2025-06-15 08:57:44 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (2148, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[DEBUG] 2025-06-15 08:57:44 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[INFO] 2025-06-15 08:57:44 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:57:44 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.44058888888889
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:57:44 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:57:44 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1536 points
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f657c40)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.44058888888889
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1536
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1830
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 270
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2100
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:57:44 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:57:45 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:57:45 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:58:04 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:58:04 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 52743
[DEBUG] 2025-06-15 08:58:04 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 52743
[DEBUG] 2025-06-15 08:58:13 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:58:13 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 52227
[DEBUG] 2025-06-15 08:58:13 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 52227
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:58:22 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:58:22 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.44058888888889__
[DEBUG] 2025-06-15 08:58:22 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (2100, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2100,) SCALARS
[DEBUG] 2025-06-15 08:58:22 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2100,) SCALARS
[INFO] 2025-06-15 08:58:22 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:58:22 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:58:22 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.496144444444445
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:58:22 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:58:22 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:22 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:22 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1560 points
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b7f6542e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.496144444444445
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1560
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1854
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 294
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2148
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:58:23 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:58:43 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:58:43 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 53613
[DEBUG] 2025-06-15 08:58:43 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 53613
[DEBUG] 2025-06-15 08:58:52 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:58:52 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 52953
[DEBUG] 2025-06-15 08:58:52 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 52953
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:59:01 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:01 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.496144444444445__
[DEBUG] 2025-06-15 08:59:01 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (2148, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[DEBUG] 2025-06-15 08:59:01 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[INFO] 2025-06-15 08:59:01 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:01 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:01 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.5517
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:01 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:01 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1920 points
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 462 points
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:01 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:01 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 366 points
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:02 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18b603dce80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.5517
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1920
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 462
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2382
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 366
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2748
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:59:02 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 08:59:23 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:59:23 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 54441
[DEBUG] 2025-06-15 08:59:23 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 54441
[DEBUG] 2025-06-15 08:59:34 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 08:59:34 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 53697
[DEBUG] 2025-06-15 08:59:34 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 53697
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.scripts.scriptFermiHandler[332][plot_fermi_isoslider] - ___Getting surface for 5.5517__
[DEBUG] 2025-06-15 08:59:44 - pyprocar.scripts.scriptFermiHandler[333][plot_fermi_isoslider] - Surface shape: (2748, 3)
[DEBUG] 2025-06-15 08:59:44 - pyprocar.scripts.scriptFermiHandler[334][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2748,) SCALARS
[DEBUG] 2025-06-15 08:59:44 - pyprocar.scripts.scriptFermiHandler[335][plot_fermi_isoslider] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2748,) SCALARS
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[796][show] - Showing plot
To save an image of where the camera is at time when the window closes,
set the `save_2d` parameter and set `plotter_camera_pos` to the following:
[(0.5022336165091649, 0.5022336165091649, 0.5022336165091649),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
Isovalues GIF¶
[23]:
# Create isovalue GIF (varying energy levels)
iso_range = 1.0 # Energy range: ±1.0 eV around Fermi
iso_surfaces = 10 # Number of surfaces
fermiHandler.create_isovalue_gif(
iso_range=iso_range,
iso_surfaces=iso_surfaces,
save_gif=DATA_DIR / "fermi_isovalue.gif",
mode="plain"
)
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[297][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:44 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 4.8017
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:44 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:44 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:44 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:44 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:44 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 30 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 6 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 6 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1949ba0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.8017
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 30
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 6
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 36
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 6
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 42
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 4.8017__
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (42, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (42,) SCALARS
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (42,) SCALARS
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 4.912811111111111
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 414 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 54 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 54 points
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a620)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 4.912811111111111
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 414
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 54
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 468
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 54
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 522
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 4.912811111111111__
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (522, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (522,) SCALARS
[DEBUG] 2025-06-15 08:59:45 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (522,) SCALARS
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.023922222222223
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 816 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 126 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 78 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194a8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.023922222222223
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 816
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 126
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 942
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 78
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1020
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.023922222222223__
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (1020, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1020,) SCALARS
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1020,) SCALARS
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.135033333333333
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1272 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 150 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 126 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba194b8e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.135033333333333
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1272
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 150
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1422
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 126
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1548
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.135033333333333__
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (1548, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1548,) SCALARS
[DEBUG] 2025-06-15 08:59:46 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1548,) SCALARS
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.246144444444445
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1248 points
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:46 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 174 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b40a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.246144444444445
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1248
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 222
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1470
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 174
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1644
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.246144444444445__
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (1644, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1644,) SCALARS
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1644,) SCALARS
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.357255555555556
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1584 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b44c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.357255555555556
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1584
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1878
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 270
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2148
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.357255555555556__
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (2148, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2148,) SCALARS
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.468366666666667
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1560 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 294 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b5d80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.468366666666667
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1560
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 294
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1854
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 270
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2124
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.468366666666667__
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (2124, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2124,) SCALARS
[DEBUG] 2025-06-15 08:59:47 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2124,) SCALARS
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.579477777777778
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1872 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 486 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 414 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b64a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.579477777777778
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1872
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 486
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2358
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 414
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2772
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.579477777777778__
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (2772, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2772,) SCALARS
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2772,) SCALARS
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.69058888888889
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1800 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 486 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 462 points
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba18b72e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.69058888888889
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1800
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 486
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2286
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 462
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 2748
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.69058888888889__
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (2748, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2748,) SCALARS
[DEBUG] 2025-06-15 08:59:48 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (2748,) SCALARS
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.8017
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 2088 points
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 702 points
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 606 points
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 08:59:49 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1890280)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.8017
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 2088
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 702
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2790
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 606
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3396
[INFO] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.scripts.scriptFermiHandler[422][create_isovalue_gif] - ___Getting surface for 5.8017__
[DEBUG] 2025-06-15 08:59:49 - pyprocar.scripts.scriptFermiHandler[423][create_isovalue_gif] - Surface shape: (3396, 3)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.scripts.scriptFermiHandler[424][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (3396,) SCALARS
[DEBUG] 2025-06-15 08:59:49 - pyprocar.scripts.scriptFermiHandler[425][create_isovalue_gif] - Surface shape: pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (3396,) SCALARS
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[442][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 08:59:49 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[474][add_surface] - Adding surface with scalars: bands
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[477][add_surface] - surface:
FermiSurface3D (0x18b13bf65c0)
N Cells: 72
N Points: 42
N Strips: 0
X Bounds: -1.389e-02, 1.389e-02
Y Bounds: -1.389e-02, 1.389e-02
Z Bounds: -1.389e-02, 1.389e-02
N Arrays: 3
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[478][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (42,) SCALARS
bands float64 (42, 4)
[DEBUG] 2025-06-15 08:59:49 - pyprocar.plotter.fermi3d_plot[479][add_surface] - surface.cell_data:
['band_index']
Cross Section Widget¶
[24]:
# Cross-section - cut through the Fermi surface
print("Cross-section visualization:")
slice_normal = (1, 0, 0) # Cut along x-direction
slice_origin = (0, 0, 0) # Cut through origin
fermiHandler.plot_fermi_cross_section(
slice_normal=slice_normal,
slice_origin=slice_origin,
mode="parametric",
atoms=[1],
orbitals=[4,5,6,7,8],
spins=[0],
surface_opacity=0.5,
show=True
)
print("🎛️ Interactive features: Sliders and cross-sections provide detailed analysis")
Cross-section visualization:
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[297][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [0]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[83][_process_data_for_parametric_mode] - ___Processing data for parametric mode___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[106][_process_data_for_parametric_mode] - Orbitals considered: [4, 5, 6, 7, 8]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[107][_process_data_for_parametric_mode] - Atoms considered: [1]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[108][_process_data_for_parametric_mode] - Final spins: [0]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[109][_process_data_for_parametric_mode] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[110][_process_data_for_parametric_mode] - First kpoint and bands: [0.]
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[111][_process_data_for_parametric_mode] - ____End of parametric mode processing___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (9261, 20, 1)
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[321][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.plotter.fermi3d_plot[333][get_surface_data] - Bands shape for spin 0: (9261, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (9261, 20)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4762 0.4762 0.4762]
[0.4762 0.4762 0.4286]
[0.4762 0.4762 0.381 ]]
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:00:17 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:00:17 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1416 points
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 270 points
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 222 points
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (21, 21, 21, 20)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (9261, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (21, 21, 21)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18ba1948b80)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (41, 41, 41)
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (9261, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1416
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 270
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 1686
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 222
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 1908
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (9261, 3)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (9261, 3)
[INFO] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 09:00:17 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 64827
[DEBUG] 2025-06-15 09:00:36 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 09:00:36 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 51411
[DEBUG] 2025-06-15 09:00:36 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 51411
[DEBUG] 2025-06-15 09:00:44 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 64827
[DEBUG] 2025-06-15 09:00:44 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 50643
[DEBUG] 2025-06-15 09:00:44 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 50643
[INFO] 2025-06-15 09:00:53 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[251][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[WARNING] 2025-06-15 09:00:53 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[402][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[442][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:00:53 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[856][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[869][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[879][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[880][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[881][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[885][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[908][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[865][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[474][add_surface] - Adding surface with scalars: scalars
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[477][add_surface] - surface:
FermiSurface3D (0x18b61f63fa0)
N Cells: 3576
N Points: 1908
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 4
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[478][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : None
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (1908,) SCALARS
bands float64 (1908, 4)
[DEBUG] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[479][add_surface] - surface.cell_data:
['band_index', 'scalars']
[INFO] 2025-06-15 09:00:53 - pyprocar.plotter.fermi3d_plot[796][show] - Showing plot
🎛️ Interactive features: Sliders and cross-sections provide detailed analysis
9. Plotting Configurations - Customizing 3D Appearance¶
PyProcar provides extensive options to customize 3D Fermi surface appearance:
Key Configuration Arguments¶
Category |
Arguments |
Description |
|---|---|---|
Surface |
|
Surface colors and transparency |
Camera |
|
View angle and background |
Brillouin |
|
Show/style unit cell |
Properties |
|
Property visualization |
Output |
|
Save 3D formats |
[25]:
fermiHandler = pyprocar.FermiHandler(
code="vasp", # Required: DFT software used
dirname=DATA_DIR, # Required: Directory with calculation files
apply_symmetry=True, # Apply symmetry operations (if available)
fermi=5.3017, # Fermi energy in eV
verbose=1
)
# Print available configuration options
fermiHandler.plot_fermi_surface(
mode="plain",
print_plot_opts=True,
show=False # Don't show plot, just print options
)
If you want more detailed logs, set verbose to 2 or more
____________________________________________________________________________________________________
____ ____
| _ \ _ _| _ \ _ __ ___ ___ __ _ _ __
| |_) | | | | |_) | '__/ _ \ / __/ _` | '__|
| __/| |_| | __/| | | (_) | (_| (_| | |
|_| \__, |_| |_| \___/ \___\__,_|_|
|___/
A Python library for electronic structure pre/post-processing.
Version 6.4.6 created on Mar 6th, 2025
Please cite:
- Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero.,
PyProcar: A Python library for electronic structure pre/post-processing.,
Computer Physics Communications 251, 107080 (2020).
- L. Lang, P. Tavadze, A. Tellez, E. Bousquet, H. Xu, F. Muñoz, N. Vasquez, U. Herath, and A. H. Romero,
Expanding PyProcar for new features, maintainability, and reliability.,
Computer Physics Communications 297, 109063 (2024).
Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah
____________________________________________________________________________________________________
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
plot_type: PlotType.FERMI_SURFACE_3D
custom_settings: {}
mode: plain
property: None
property_name: None
background_color: white
plotter_offscreen: False
plotter_camera_pos: [1, 1, 1]
surface_cmap: jet
surface_color: None
surface_opacity: 1.0
surface_clim: None
surface_bands_colors: []
spin_colors: (None, None)
arrow_size: 3
texture_cmap: jet
texture_color: None
texture_size: 0.05
texture_scale: False
texture_clim: None
texture_opacity: 1.0
show_brillouin_zone: True
brillouin_zone_style: wireframe
brillouin_zone_line_width: 3.5
brillouin_zone_color: black
brillouin_zone_opacity: 1.0
show_axes: True
x_axes_label: Kx
y_axes_label: Ky
z_axes_label: Kz
axes_label_color: black
axes_line_width: 6
show_scalar_bar: True
scalar_bar_config: {'italic': False, 'bold': False, 'title_font_size': 15, 'label_font_size': 10, 'width': 0.5, 'height': 0.05, 'position_x': 0.48, 'position_y': 0.02, 'color': 'black'}
fermi_tolerance: 0.1
extended_zone_directions: None
supercell: [1, 1, 1]
projection_accuracy: high
interpolation_factor: 1
max_distance: 0.3
cross_section_slice_linewidth: 5.0
cross_section_slice_show_area: False
isoslider_title: Energy iso-value
isoslider_style: modern
isoslider_color: black
save_gif_config: {'generate_orbital_path_kwargs': {'n_points': 36}, 'open_gif_kwargs': {}, 'orbit_on_path_kwargs': {'step': 0.05, 'viewup': [0, 0, 1]}}
save_mp4_config: {'generate_orbital_path_kwargs': {'n_points': 36}, 'open_movie_kwargs': {}, 'orbit_on_path_kwargs': {'step': 0.05, 'viewup': [0, 0, 1]}}
save_mesh_config: {'save_meshio_kwargs': {}}
____________________________________________________________________________________________________
Example 1: Customizing surface appearance¶
[26]:
fermiHandler.plot_fermi_surface(
mode="parametric",
surface_cmap="plasma", # Different colormap
surface_opacity=0.8, # Semi-transparent surface
background_color="grey", # Dark background
show_brillouin_zone=False, # Show unit cell
atoms=[1],
orbitals=[4,5,6,7,8],
spins=[0],
show=True
)
print("🎨 Configuration options allow full customization of 3D appearance")
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
To save an image of where the camera is at time when the window closes,
set the `save_2d` parameter and set `plotter_camera_pos` to the following:
[(0.5022336165091649, 0.5022336165091649, 0.5022336165091649),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
🎨 Configuration options allow full customization of 3D appearance
Example 2: Customizing surface appearance¶
[27]:
# Example 2: Customizing parametric visualization
atoms = [1]
orbitals = [4,5,6,7,8]
spins = [0]
fermiHandler.plot_fermi_surface(
mode="parametric",
atoms=atoms,
orbitals=orbitals,
spins=spins,
surface_cmap="viridis", # Different colormap
surface_clim=[0, 0.5], # Color scale limits
surface_opacity=0.9, # Slight transparency
plotter_camera_pos=[2, 2, 2], # Custom camera angle
show=True
)
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
To save an image of where the camera is at time when the window closes,
set the `save_2d` parameter and set `plotter_camera_pos` to the following:
[(0.5022336165091649, 0.5022336165091649, 0.5022336165091649),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
10. Saving and Output Options¶
PyProcar provides several options for saving 3D Fermi surfaces in different formats.
Save Options¶
[28]:
# Save interactive GIF animation
atoms = [1]
orbitals = [4,5,6,7,8]
spins = [0]
fermiHandler.plot_fermi_surface(
mode="parametric",
atoms=atoms,
orbitals=orbitals,
spins=spins,
save_gif=DATA_DIR / "fermi_surface_rotation.gif", # Rotating GIF
show=False
)
print("💾 3D Fermi surfaces saved as:")
print(" - fermi_surface.vtp (3D mesh)")
print(" - fermi_surface_rotation.gif (rotating animation)")
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
💾 3D Fermi surfaces saved as:
- fermi_surface.vtp (3D mesh)
- fermi_surface_rotation.gif (rotating animation)
[30]:
# Save as 3D mesh for later use
fermiHandler.plot_fermi_surface(
mode="parametric",
atoms=[1],
orbitals=[4,5,6,7,8],
spins=[0],
save_3d=DATA_DIR / "fermi_surface.vtp", # Save 3D mesh
show=False # Don't show, just save
)
____________________________________________________________________________________________________
There are additional plot options that are defined in a configuration file.
You can change these configurations by passing the keyword argument to the function
To print a list of plot options set print_plot_opts=True
Here is a list modes : plain , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
____________________________________________________________________________________________________
---------------------------------------------------------------------------
ModuleNotFoundError Traceback (most recent call last)
File c:\Users\lllang\miniconda3\envs\pyprocar\lib\site-packages\pyvista\core\utilities\fileio.py:1049, in to_meshio(mesh)
1048 try:
-> 1049 import meshio
1051 except ImportError: # pragma: no cover
ModuleNotFoundError: No module named 'meshio'
During handling of the above exception, another exception occurred:
ImportError Traceback (most recent call last)
Cell In[30], line 2
1 # Save as 3D mesh for later use
----> 2 fermiHandler.plot_fermi_surface(
3 mode="parametric",
4 atoms=[1],
5 orbitals=[4,5,6,7,8],
6 spins=[0],
7 save_3d=DATA_DIR / "fermi_surface.vtp", # Save 3D mesh
8 show=False # Don't show, just save
9 )
File ~\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\pyprocar\scripts\scriptFermiHandler.py:252, in FermiHandler.plot_fermi_surface(self, mode, bands, atoms, orbitals, spins, spin_texture, fermi_shift, show, save_2d, save_gif, save_mp4, save_3d, print_plot_opts, **kwargs)
248 visualizer.save_mp4(
249 filename=save_mp4, save_mp4_config=config.save_mp4_config
250 )
251 if save_3d:
--> 252 visualizer.save_mesh(
253 filename=save_3d,
254 surface=fermi_surface,
255 save_mesh_config=config.save_mesh_config,
256 )
File ~\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\pyprocar\plotter\fermi3d_plot.py:853, in FermiVisualizer.save_mesh(self, filename, surface, save_mesh_config)
850 if save_mesh_config is None:
851 save_mesh_config = self.config.save_mesh_config
--> 853 pv.save_meshio(filename, surface, **save_mesh_config["save_meshio_kwargs"])
File c:\Users\lllang\miniconda3\envs\pyprocar\lib\site-packages\pyvista\core\utilities\fileio.py:1240, in save_meshio(filename, mesh, file_format, **kwargs)
1237 filename = Path(filename).expanduser().resolve()
1239 # Save using meshio
-> 1240 to_meshio(mesh).write(filename, file_format=file_format, **kwargs)
File c:\Users\lllang\miniconda3\envs\pyprocar\lib\site-packages\pyvista\core\utilities\fileio.py:1053, in to_meshio(mesh)
1051 except ImportError: # pragma: no cover
1052 msg = 'To use this feature install meshio with:\n\npip install meshio'
-> 1053 raise ImportError(msg)
1055 try: # for meshio<5.0 compatibility
1056 from meshio.vtk._vtk import vtk_to_meshio_type
ImportError: To use this feature install meshio with:
pip install meshio
Summary: Mastering PyProcar’s FermiHandler¶
🎉 Congratulations! You’ve learned the complete FermiHandler class and its methods:
Core Concepts Covered¶
FermiHandler object: Object-oriented approach to Fermi surface analysis
Visualization modes:
plain,parametric,spin_texturePlotting methods:
plot_fermi_surface(),plot_fermi_isoslider(),plot_fermi_cross_section()Interactive features: Isosliders, cross-sections, 3D manipulation
Configurations: Customize 3D appearance with colors, opacity, camera
Output options: Save as 3D meshes, GIFs, and animations
💡 Key Takeaways¶
Concept |
Key Points |
|---|---|
Object Creation |
|
Basic Plotting |
|
Interactive |
|
Animation |
|
Configuration |
Use kwargs for |
Best Practices |
Dense k-mesh required, object-oriented approach |
🚀 Quick Reference¶
# Step 1: Create FermiHandler object
fermiHandler = pyprocar.FermiHandler(code='vasp', dirname='.',
apply_symmetry=True, fermi=E_F)
# Step 2: Basic plotting
fermiHandler.plot_fermi_surface(mode='plain', show=True)
# Step 3: With projections
fermiHandler.plot_fermi_surface(mode='parametric', atoms=[0],
orbitals=[4,5,6,7,8], spins=[0])
# Step 4: Interactive features
fermiHandler.plot_fermi_isoslider(iso_range=1.0, iso_surfaces=20, mode='plain')
fermiHandler.plot_fermi_cross_section(slice_normal=(1,0,0), mode='plain')
# Step 5: Create animations
fermiHandler.create_isovalue_gif(iso_range=1.0, save_gif='animation.gif')