Dealing with Spin in Fermi Surface 3D Visualization¶
This tutorial provides a comprehensive guide to handling different spin configurations when plotting 3D Fermi surfaces using PyProcar’s FermiHandler class. Understanding how PyProcar handles spin is crucial for correctly interpreting and visualizing magnetic Fermi surfaces.
Understanding Spin in Fermi Surface Calculations¶
PyProcar handles spin differently depending on the type of magnetic calculation:
Spin-Polarized Case (Collinear Magnetism)¶
In spin-polarized calculations, the spin-up and spin-down channels are separate entities:
There are two distinct spin channels (spin-up and spin-down)
Each spin channel has its own Fermi surface topology
You can visualize Fermi surfaces for each spin channel independently
Different spin channels can have dramatically different Fermi surface shapes
Useful for studying spin-dependent transport and magnetic properties
Non-Collinear Case (Non-Collinear Magnetism)¶
In non-collinear magnetic calculations, the situation is more complex:
Spin-up and spin-down mix at each k-point
There is only 1 spin channel but with spin texture information
The spin texture mode can visualize local spin directions on the Fermi surface
Spin directions are represented as 3D arrows on the surface
Essential for understanding complex magnetic structures and spin-orbit coupling effects
Key Differences for Fermi Surfaces¶
Collinear: Separate Fermi surfaces for each spin channel
Non-collinear: One Fermi surface with spin direction arrows
Analysis: Spin-resolved vs. spin-textured approaches
This tutorial will demonstrate both approaches with practical examples.
1. Setup and Data Loading¶
We’ll use both spin-polarized and non-collinear examples to demonstrate the different approaches to handling spin in Fermi surface calculations.
[16]:
# Import required libraries
from pathlib import Path
import pyprocar
import pyvista as pv
pv.set_jupyter_backend('static')
CURRENT_DIR = Path(".").resolve()
SPIN_POL_PATH = "data/examples/fermi3d/spin-polarized"
NON_COLLINEAR_PATH = "data/examples/fermi3d/non-colinear"
pyprocar.download_from_hf(relpath=SPIN_POL_PATH, output_path=CURRENT_DIR)
pyprocar.download_from_hf(relpath=NON_COLLINEAR_PATH, output_path=CURRENT_DIR)
SPIN_POL_DATA_DIR = CURRENT_DIR / SPIN_POL_PATH
NON_COLLINEAR_DATA_DIR = CURRENT_DIR / NON_COLLINEAR_PATH
print(f"Data downloaded to: {SPIN_POL_DATA_DIR}")
print(f"Data downloaded to: {NON_COLLINEAR_DATA_DIR}")
Data already exists at C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\spin-polarized
Data already exists at C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-colinear
Data downloaded to: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\spin-polarized
Data downloaded to: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-colinear
2. Spin-Polarized Fermi Surfaces (Collinear Magnetism)¶
In this section, we’ll explore how to create and analyze 3D Fermi surfaces for spin-polarized systems. Spin-polarized calculations provide separate Fermi surfaces for spin-up and spin-down channels.
Creating FermiHandler Objects for Spin-Polarized Data¶
First, let’s create a FermiHandler object for our spin-polarized data and understand what we’re working with.
[17]:
# Create FermiHandler object for spin-polarized data
spinPolarizedFermiHandler = pyprocar.FermiHandler(
code="vasp",
dirname=SPIN_POL_DATA_DIR,
apply_symmetry=True, # Apply symmetry operations
fermi=5.3017, # Fermi energy
use_cache=False,
verbose=1
)
print("✅ Spin-polarized FermiHandler created!")
print(" - This system has separate spin-up and spin-down channels")
print(" - Each spin channel can have different Fermi surface topology")
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
____________________________________________________________________________________________________
Parsing KPOINTS file: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\spin-polarized\KPOINTS
[INFO] 2025-06-15 09:05:11 - pyprocar.scripts.scriptFermiHandler[104][__init__] - Detected symmetry operations ((48, 3, 3)). Applying to ebs to get full BZ
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.ebs[1213][ibz2fbz] - Number of kpoints in ibz: 120
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.ebs[1214][ibz2fbz] - Number of rotations: 48
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.ebs[1270][ibz2fbz] - Number of kpoints in full BZ: 3375
✅ Spin-polarized FermiHandler created!
- This system has separate spin-up and spin-down channels
- Each spin channel can have different Fermi surface topology
2.1 Plain Mode - Both Spin Channels¶
In plain mode, we can visualize the complete Fermi surface including both spin-up and spin-down channels. This gives us an overview of the overall electronic structure at the Fermi level.
[18]:
# Plot Fermi surface with both spin channels
spinPolarizedFermiHandler.plot_fermi_surface(
mode="plain",
show=True
)
print("🔍 What you see:")
print(" - Complete Fermi surface topology")
print(" - Both spin-up and spin-down contributions")
print(" - Different colors represent different bands")
____________________________________________________________________________________________________
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 09:05:11 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0, 1].
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0, 1]. This is intented
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 30, 2)
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:11 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 30)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:11 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:11 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:11 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:11 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1134 points
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fe7a0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1134
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2358
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3084
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 1: (3375, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 30)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:12 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:12 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:12 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fc100)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 0) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {}
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[DEBUG] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[171][_combine_isosurfaces] - No isosurfaces found. Returning empty mesh.
[INFO] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[226][_get_spin_pol_indices] - No Fermi surface found for spin 1. Skipping adding spin_band_index
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[261][_merge_fermi_surfaces] - No Fermi surface found for spin 1. Skipping merging.
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:05:12 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: bands
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x184885fcca0)
N Cells: 5544
N Points: 3084
N Strips: 0
X Bounds: -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 09:05:12 - pyprocar.plotter.fermi3d_plot[482][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 (3084,) SCALARS
bands float64 (3084, 4)
[DEBUG] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:05:12 - pyprocar.plotter.fermi3d_plot[800][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:
[(0.5022336164014731, 0.5022336164014731, 0.5022336164014731),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
🔍 What you see:
- Complete Fermi surface topology
- Both spin-up and spin-down contributions
- Different colors represent different bands
2.2 Analyzing Individual Spin Channels¶
For spin-polarized systems, we can visualize each spin channel separately. This is crucial for understanding:
How magnetic ordering affects the Fermi surface topology
Spin-dependent transport properties
Differences between majority and minority spin carriers
[19]:
# Plot only spin-up channel (majority spin)
print("Spin-Up Channel (Majority Spin):")
spinPolarizedFermiHandler.plot_fermi_surface(
mode="plain",
spins=[0], # Only spin-up channel (index 0)
show=True
)
print("📈 Majority spin channel:")
print(" - Usually more occupied in magnetic materials")
print(" - Often shows different topology than minority spin")
Spin-Up Channel (Majority Spin):
____________________________________________________________________________________________________
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 09:05:13 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [0]
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 30, 1)
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 30)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:13 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:13 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1134 points
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:13 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885fd4e0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1134
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2358
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3084
[INFO] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:13 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:05:13 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: bands
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x184885fd540)
N Cells: 5544
N Points: 3084
N Strips: 0
X Bounds: -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 09:05:14 - pyprocar.plotter.fermi3d_plot[482][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 (3084,) SCALARS
bands float64 (3084, 4)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[800][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:
[(0.5022336164014731, 0.5022336164014731, 0.5022336164014731),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
📈 Majority spin channel:
- Usually more occupied in magnetic materials
- Often shows different topology than minority spin
[20]:
# Plot only spin-down channel (minority spin)
print("Spin-Down Channel (Minority Spin):")
spinPolarizedFermiHandler.plot_fermi_surface(
mode="plain",
spins=[1], # Only spin-down channel (index 1)
show=True
)
print("📉 Minority spin channel:")
print(" - Usually less occupied in magnetic materials")
print(" - Can have completely different Fermi surface shape")
print(" - Important for understanding spin transport")
Spin-Down Channel (Minority Spin):
____________________________________________________________________________________________________
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 09:05:14 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [1]
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [1].
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [1]. This is intented
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 30, 1)
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 1: (3375, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 30)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:14 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:14 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:14 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 0) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {}
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[DEBUG] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[171][_combine_isosurfaces] - No isosurfaces found. Returning empty mesh.
[INFO] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:14 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[226][_get_spin_pol_indices] - No Fermi surface found for spin 0. Skipping adding spin_band_index
[DEBUG] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[261][_merge_fermi_surfaces] - No Fermi surface found for spin 0. Skipping merging.
[INFO] 2025-06-15 09:05:14 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
WARNING: No Fermi surface found for spin [1]. Skipping plotting.
📉 Minority spin channel:
- Usually less occupied in magnetic materials
- Can have completely different Fermi surface shape
- Important for understanding spin transport
[21]:
# Parametric mode: show orbital contributions for specific spin channel
print("Parametric Mode - Orbital Projections on Spin-Up Channel:")
atoms = [1] # Atom indices for projection
orbitals = [4,5,6,7,8] # d orbitals (indices 4-8)
spins = [0] # Only spin-up channel
spinPolarizedFermiHandler.plot_fermi_surface(
mode="parametric",
atoms=atoms,
orbitals=orbitals,
spins=spins,
show=True
)
print("🎨 Parametric visualization shows:")
print(" - Which orbitals contribute to the Fermi surface")
print(" - Color intensity represents orbital character")
print(" - Only for the selected spin channel")
Parametric Mode - Orbital Projections on Spin-Up Channel:
____________________________________________________________________________________________________
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 09:05:15 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [16, 17, 18]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [0]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[83][_process_data_for_parametric_mode] - ___Processing data for parametric mode___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[106][_process_data_for_parametric_mode] - Orbitals considered: [4, 5, 6, 7, 8]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[107][_process_data_for_parametric_mode] - Atoms considered: [1]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[108][_process_data_for_parametric_mode] - Final spins: [0]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[109][_process_data_for_parametric_mode] - spd after summing over the projections shape: (3375, 30, 1)
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[110][_process_data_for_parametric_mode] - First kpoint and bands: [0.]
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[111][_process_data_for_parametric_mode] - ____End of parametric mode processing___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 30, 1)
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 30)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:15 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:15 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1134 points
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 30)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184b27fa440)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {16: 0, 17: 1, 18: 2}
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1134
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2358
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3084
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[522][project_atomic_projections] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[523][project_atomic_projections] - spd shape at this point: (3375, 3)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[532][project_atomic_projections] - scalars_array shape after the creation of the array from the spd: (3375, 3)
[INFO] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[449][_project_color] - ____Starting Projecting atomic projections___
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 23625
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 23625
[DEBUG] 2025-06-15 09:05:15 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 23625
[DEBUG] 2025-06-15 09:05:21 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 23625
[DEBUG] 2025-06-15 09:05:21 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 23625
[DEBUG] 2025-06-15 09:05:21 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 23625
[DEBUG] 2025-06-15 09:05:27 - pyprocar.core.fermisurface3D[472][_project_color] - Number of points before projecting inside the Brillouin zone: 23625
[DEBUG] 2025-06-15 09:05:27 - pyprocar.core.fermisurface3D[482][_project_color] - Number of points after determining which points are near isosurface centers: 23601
[DEBUG] 2025-06-15 09:05:27 - pyprocar.core.fermisurface3D[485][_project_color] - Number of scalars after determining which points are near isosurface centers: 23601
[INFO] 2025-06-15 09:05:32 - pyprocar.core.fermisurface3D[515][_project_color] - ___End of projecting scalars___
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:05:32 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: scalars
[DEBUG] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x18402120640)
N Cells: 5544
N Points: 3084
N Strips: 0
X Bounds: -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 09:05:32 - pyprocar.plotter.fermi3d_plot[482][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 (3084,) SCALARS
bands float64 (3084, 4)
[DEBUG] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index', 'scalars']
[INFO] 2025-06-15 09:05:32 - pyprocar.plotter.fermi3d_plot[800][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:
[(0.5022336164014731, 0.5022336164014731, 0.5022336164014731),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
🎨 Parametric visualization shows:
- Which orbitals contribute to the Fermi surface
- Color intensity represents orbital character
- Only for the selected spin channel
3. Non-Collinear Fermi Surfaces and Spin Texture¶
In non-collinear magnetic systems, the spin quantization axis is not fixed, and spin-up and spin-down states are mixed. For Fermi surfaces, this opens up the powerful spin texture mode where we can visualize the local spin directions on the surface.
Creating FermiHandler for Non-Collinear Data¶
[22]:
# Create FermiHandler object for non-collinear data
nonCollinearFermiHandler = pyprocar.FermiHandler(
code="vasp",
dirname=NON_COLLINEAR_DATA_DIR,
apply_symmetry=True, # Apply symmetry operations (NOTE: may need to be False for some cases)
fermi=5.3017, # Fermi energy
use_cache=False,
verbose=1
)
print("✅ Non-collinear FermiHandler created!")
print(" - This system has mixed spin-up/spin-down states")
print(" - Spin directions vary in space")
print(" - Perfect for spin texture visualization")
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
____________________________________________________________________________________________________
Parsing KPOINTS file: C:\Users\lllang\Desktop\notebooks\Notebook\01 - Projects\Pyprocar\pyprocar\examples\04-fermi3d\data\examples\fermi3d\non-colinear\KPOINTS
[INFO] 2025-06-15 09:05:44 - pyprocar.scripts.scriptFermiHandler[104][__init__] - Detected symmetry operations ((6, 3, 3)). Applying to ebs to get full BZ
[DEBUG] 2025-06-15 09:05:44 - pyprocar.core.ebs[1213][ibz2fbz] - Number of kpoints in ibz: 568
[DEBUG] 2025-06-15 09:05:44 - pyprocar.core.ebs[1214][ibz2fbz] - Number of rotations: 6
[DEBUG] 2025-06-15 09:05:44 - pyprocar.core.ebs[1270][ibz2fbz] - Number of kpoints in full BZ: 3375
✅ Non-collinear FermiHandler created!
- This system has mixed spin-up/spin-down states
- Spin directions vary in space
- Perfect for spin texture visualization
3.1 Plain Mode - Basic Non-Collinear Fermi Surface¶
First, let’s visualize the basic Fermi surface without spin texture information:
[23]:
# Plot basic Fermi surface for non-collinear system
nonCollinearFermiHandler.plot_fermi_surface(
mode="plain",
show=True
)
print("🔍 Basic non-collinear Fermi surface:")
print(" - Shows overall topology without spin information")
print(" - Foundation for adding spin texture 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 09:05:45 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [32, 33, 34]
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 50, 1)
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:45 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 50)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:45 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:45 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1110 points
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:45 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:45 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:46 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x18452cfa8c0)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {32: 0, 33: 1, 34: 2}
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1110
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2334
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3060
[INFO] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:05:46 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: bands
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x184b27f9fc0)
N Cells: 5496
N Points: 3060
N Strips: 0
X Bounds: -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 09:05:46 - pyprocar.plotter.fermi3d_plot[482][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 (3060,) SCALARS
bands float64 (3060, 4)
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[800][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:
[(0.5022336164014731, 0.5022336164014731, 0.5022336164014731),
(0.0, 0.0, 0.0),
(0.0, 0.0, 1.0)]
🔍 Basic non-collinear Fermi surface:
- Shows overall topology without spin information
- Foundation for adding spin texture visualization
3.2 Spin Texture Mode - The Power of Non-Collinear Visualization¶
This is where non-collinear systems shine! The spin texture mode allows us to visualize the local spin directions directly on the Fermi surface using 3D arrows. This provides incredible insights into:
Spin-orbit coupling effects
Magnetic anisotropy
Topological properties
Local magnetic ordering
[24]:
# Spin texture mode - arrows show spin directions
print("Spin Texture Mode - Local Spin Directions:")
nonCollinearFermiHandler.plot_fermi_surface(
mode="spin_texture",
spin_texture=True, # Enable spin texture visualization
texture_size=0.05, # Size of the spin arrows
show=True,
max_distance=0.3, # Max distance for interpolation
)
print("🧭 Spin texture visualization shows:")
print(" - 3D arrows representing local spin directions")
print(" - Arrow length indicates spin magnitude")
print(" - Colors can represent different properties")
print(" - Essential for understanding magnetic textures")
Spin Texture Mode - Local Spin Directions:
____________________________________________________________________________________________________
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 09:05:46 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [32, 33, 34]
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 50, 1)
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:05:46 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[DEBUG] 2025-06-15 09:05:47 - pyprocar.plotter.fermi3d_plot[172][_process_spd_spin_texture] - spd_spin after summing over the projections shape: (3375, 50, 3)
[INFO] 2025-06-15 09:05:47 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:05:47 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:05:47 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:05:47 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 50)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:05:47 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:05:47 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1110 points
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:47 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:47 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:05:48 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9f60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {32: 0, 33: 1, 34: 2}
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1110
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2334
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3060
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[542][project_spin_texture_atomic_projections] - ____Starting Projecting spin texture___
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[544][project_spin_texture_atomic_projections] - spin texture array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[242][_create_vector_texture] - ____Starting Projecting vector texture___
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[243][_create_vector_texture] - isosurfaces: 3
[DEBUG] 2025-06-15 09:05:48 - pyprocar.core.fermisurface3D[244][_create_vector_texture] - vectors_array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:06:37 - pyprocar.core.fermisurface3D[355][_create_vector_texture] - ___End of projecting vector texture___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:06:37 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: spin_magnitude
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x18450a2a500)
N Cells: 5496
N Points: 3060
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 5
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[482][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : spin
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (3060,) SCALARS
spin float64 (3060, 3) VECTORS
spin_magnitude float64 (3060,)
bands float64 (3060, 4)
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[800][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:
[(0.5744193949539175, 0.5744225614506712, 0.574392066224288),
(0.013905912637710571, 0.013909079134464264, 0.013878583908081055),
(0.0, 0.0, 1.0)]
🧭 Spin texture visualization shows:
- 3D arrows representing local spin directions
- Arrow length indicates spin magnitude
- Colors can represent different properties
- Essential for understanding magnetic textures
[25]:
# Customizing spin texture visualization
print("Customized Spin Texture - Enhanced Visualization:")
nonCollinearFermiHandler.plot_fermi_surface(
mode="spin_texture",
spin_texture=True,
extended_zone_directions=[[0, 0, 1], [0, 0, -1]],
texture_size=0.05, # Larger arrows for better visibility
texture_cmap="viridis", # Custom colormap for arrows
surface_opacity=0.2, # Semi-transparent surface
spins=[3], # sz
show=True,
max_distance=0.3
)
print("🎨 Customization options:")
print(" - texture_size: Controls arrow size")
print(" - arrow_size: Additional size control")
print(" - texture_cmap: Colormap for arrows")
print(" - surface_opacity: Surface transparency")
Customized Spin Texture - Enhanced 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 09:06:37 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [32, 33, 34]
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: [3]
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [3].
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 50, 1)
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:06:37 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[DEBUG] 2025-06-15 09:06:38 - pyprocar.plotter.fermi3d_plot[172][_process_spd_spin_texture] - spd_spin after summing over the projections shape: (3375, 50, 3)
[INFO] 2025-06-15 09:06:38 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:06:38 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:06:38 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:06:38 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 50)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:06:38 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:06:38 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1110 points
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:38 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:06:38 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a9c60)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {32: 0, 33: 1, 34: 2}
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1110
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2334
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3060
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[542][project_spin_texture_atomic_projections] - ____Starting Projecting spin texture___
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[544][project_spin_texture_atomic_projections] - spin texture array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[242][_create_vector_texture] - ____Starting Projecting vector texture___
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[243][_create_vector_texture] - isosurfaces: 3
[DEBUG] 2025-06-15 09:06:39 - pyprocar.core.fermisurface3D[244][_create_vector_texture] - vectors_array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:07:27 - pyprocar.core.fermisurface3D[355][_create_vector_texture] - ___End of projecting vector texture___
[INFO] 2025-06-15 09:07:27 - pyprocar.core.fermisurface3D[602][extend_surface] - ____Starting extending surface___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: spin_magnitude
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x18402121a20)
N Cells: 16488
N Points: 9180
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -3.900e-01, 3.900e-01
N Arrays: 5
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[482][add_surface] - surface.point_data:
pyvista DataSetAttributes
Association : POINT
Active Scalars : band_index
Active Vectors : spin
Active Texture : None
Active Normals : None
Contains arrays :
band_index int32 (9180,) SCALARS
spin float64 (9180, 3) VECTORS
spin_magnitude float64 (9180,)
bands float64 (9180, 4)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[800][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:
[(1.0267183487688203, 1.026721515265574, 1.0266910200391908),
(0.013905912637710571, 0.013909079134464264, 0.013878583908081055),
(0.0, 0.0, 1.0)]
🎨 Customization options:
- texture_size: Controls arrow size
- arrow_size: Additional size control
- texture_cmap: Colormap for arrows
- surface_opacity: Surface transparency
4. Advanced Spin Analysis Techniques¶
4.1 Cross-Section Analysis with Spin Information¶
Cross-sections can reveal how spin texture varies through different planes of the Fermi surface:
[26]:
# Cross-section with spin texture
print("Cross-section analysis with spin texture:")
slice_normal = (1, 0, 0) # Cut along x-direction
slice_origin = (0, 0, 0) # Cut through origin
nonCollinearFermiHandler.plot_fermi_cross_section(
slice_normal=slice_normal,
slice_origin=slice_origin,
extended_zone_directions=[[0, 0, 1], [0, 0, -1]],
mode="spin_texture",
spin_texture=True,
arrow_size=0.05,
surface_opacity=0.2,
show=True,
max_distance=0.3,
save_2d_slice=NON_COLLINEAR_DATA_DIR / "spin_texture_cross_section.png"
)
print("🔍 Cross-section analysis reveals:")
print(" - How spin directions change through the surface")
print(" - 2D projection of 3D magnetic structure")
print(" - Useful for understanding spin transport paths")
Cross-section analysis with spin texture:
____________________________________________________________________________________________________
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 09:07:28 - pyprocar.plotter.fermi3d_plot[301][process_data] - ___Processing data fermi surface___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[115][_determine_bands_near_fermi] - ___Determining bands near fermi___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[132][_determine_bands_near_fermi] - Bands Near Fermi : [32, 33, 34]
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[133][_determine_bands_near_fermi] - ____End of bands near fermi processing___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[60][_determine_spin_projections] - ___Determining spin projections___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[61][_determine_spin_projections] - Initial spins: None
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[77][_determine_spin_projections] - Final spins: [0].
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[78][_determine_spin_projections] - Final spin_pol: [0]. This is intented
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[79][_determine_spin_projections] - ____End of spin projections processing___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[137][_process_spd] - ___Processing spd___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[146][_process_spd] - spd after summing over the projections shape: (3375, 50, 1)
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[147][_process_spd] - ____End of spd processing___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[153][_process_spd_spin_texture] - ___Processing spd_spin_texture___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[172][_process_spd_spin_texture] - spd_spin after summing over the projections shape: (3375, 50, 3)
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[181][_process_spd_spin_texture] - ____End of spd_spin_texture processing___
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[325][get_surface_data] - ____ Getting Fermi Surface Data ____
[INFO] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[185][_initialize_properties] - ___Initializing properties___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.plotter.fermi3d_plot[337][get_surface_data] - Bands shape for spin 0: (3375, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[72][__init__] - ___Initializing the FermiSurface3D object___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[76][__init__] - ebs.bands shape: (3375, 50)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[83][__init__] - ebs.kpoints shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[84][__init__] - First 3 ebs.kpoints: [[0.4667 0.4667 0.4667]
[0.4667 0.4667 0.4 ]
[0.4667 0.4667 0.3333]]
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[92][__init__] - Iso-value used to find isosurfaces: 5.3017
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[93][__init__] - Interpolation factor: 1
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[94][__init__] - Projection accuracy: high
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[95][__init__] - Supercell used to calculate the FermiSurface3D: [1 1 1]
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[96][__init__] - Maximum distance to keep points from isosurface centers: 0.3
[INFO] 2025-06-15 09:07:28 - pyprocar.core.brillouin_zone[72][__init__] - ___Initializing BrillouinZone object___
[INFO] 2025-06-15 09:07:28 - pyprocar.core.brillouin_zone[143][wigner_seitz] - ___Calculating Wigner Seitz cell___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.brillouin_zone[87][__init__] - BrillouinZone faces: 6
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.brillouin_zone[88][__init__] - BrillouinZone verts: (8, 3)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.brillouin_zone[170][_fix_normals_direction] - ___Fixing normals direction___
[INFO] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[123][_generate_isosurfaces] - ____Generating isosurfaces for each band___
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:28 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:28 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1224 points
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 1110 points
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[327][_apply_transform_matrix] - ____ Applying transform matrix ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[356][_apply_boundaries] - ____ Applying boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[147][_generate_isosurfaces] - Found isosurface with 726 points
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[127][_generate_isosurfaces] - ebs.bands_mesh shape: (15, 15, 15, 50)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.isosurface[85][__init__] - ____ Initializing Isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[86][__init__] - XYZ shape: (3375, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[87][__init__] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[91][__init__] - V_matrix shape: (15, 15, 15)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[92][__init__] - algorithm: lewiner
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[93][__init__] - interpolation_factor: 1
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[94][__init__] - padding: [1 1 1]
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[96][__init__] - transform_matrix shape: (3, 3)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[98][__init__] - boundaries:
BrillouinZone (0x184885a8a00)
N Cells: 6
N Points: 8
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -1.300e-01, 1.300e-01
N Arrays: 2
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[231][surface_boundaries] - ____ Getting surface boundaries ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[443][_get_isosurface] - ____ Applying marching cubes ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[444][_get_isosurface] - eigen_matrix shape: (29, 29, 29)
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[445][_get_isosurface] - isovalue: 5.3017
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.isosurface[387][_process_isosurface] - ____ Processing isosurface ____
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[161][_generate_isosurfaces] - self.ebs.bands shape: (3375, 3) after removing bands with no isosurfaces
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[164][_generate_isosurfaces] - Band Isosurface index map: {32: 0, 33: 1, 34: 2}
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[168][_combine_isosurfaces] - ____Combining isosurfaces___
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 0 isosurface: 1224
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 1 isosurface: 1110
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 1 isosurface to surface: 2334
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[180][_combine_isosurfaces] - Number of points on isosurface 2 isosurface: 726
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[192][_combine_isosurfaces] - Number of points after merging isosurface 2 isosurface to surface: 3060
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[116][__init__] - ___End of initialization FermiSurface3D object___
[WARNING] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[542][project_spin_texture_atomic_projections] - ____Starting Projecting spin texture___
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[544][project_spin_texture_atomic_projections] - spin texture array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[242][_create_vector_texture] - ____Starting Projecting vector texture___
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[243][_create_vector_texture] - isosurfaces: 3
[DEBUG] 2025-06-15 09:07:29 - pyprocar.core.fermisurface3D[244][_create_vector_texture] - vectors_array shape: (3375, 3, 3)
[INFO] 2025-06-15 09:08:17 - pyprocar.core.fermisurface3D[355][_create_vector_texture] - ___End of projecting vector texture___
[INFO] 2025-06-15 09:08:17 - pyprocar.core.fermisurface3D[602][extend_surface] - ____Starting extending surface___
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[255][_merge_fermi_surfaces] - ____ Merging Fermi Surfaces of different spins ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[406][get_surface_data] - ____ Retrieived Fermi Surface Data ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[446][add_surface] - ____Adding Surface to Plotter____
[WARNING] 2025-06-15 09:08:17 - pyprocar.core.fermisurface3D[431][is_empty_mesh] - No Fermi surface found. Skipping surface addition.
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[860][_setup_band_colors] - ____ Setting up Band Colors ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[873][_generate_band_colors] - ____ Generating Band Colors ____
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[883][_generate_band_colors] - Band Colors: [[0. 0. 0.5 1. ]
[0. 0.8333 1. 1. ]
[1. 0.9012 0. 1. ]]
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[884][_generate_band_colors] - Band Colors shape: (3, 4)
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[885][_generate_band_colors] - ____ Finished Generating Band Colors ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[889][_apply_fermi_surface_band_colors] - ____ Applying Band Colors ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[912][_apply_fermi_surface_band_colors] - ____ Finished Applying Band Colors ____
[INFO] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[869][_setup_band_colors] - ____ Finished Setting up Band Colors ____
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[478][add_surface] - Adding surface with scalars: spin_magnitude
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[481][add_surface] - surface:
FermiSurface3D (0x184885a85e0)
N Cells: 16488
N Points: 9180
N Strips: 0
X Bounds: -1.300e-01, 1.300e-01
Y Bounds: -1.300e-01, 1.300e-01
Z Bounds: -3.900e-01, 3.900e-01
N Arrays: 5
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[482][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 (9180,) SCALARS
spin float64 (9180, 3)
spin_magnitude float64 (9180,)
bands float64 (9180, 4)
[DEBUG] 2025-06-15 09:08:17 - pyprocar.plotter.fermi3d_plot[483][add_surface] - surface.cell_data:
['band_index']
[INFO] 2025-06-15 09:08:18 - pyprocar.plotter.fermi3d_plot[800][show] - Showing plot
🔍 Cross-section analysis reveals:
- How spin directions change through the surface
- 2D projection of 3D magnetic structure
- Useful for understanding spin transport paths
5. Summary: Mastering Spin in Fermi Surface Visualization¶
This tutorial demonstrated how to handle different spin configurations in PyProcar’s Fermi surface visualization:
Key Concepts Covered:¶
Spin-Polarized (Collinear) Systems:
Separate spin channels: Use
spins=[0](spin-up) orspins=[1](spin-down)Independent analysis: Each spin channel has its own Fermi surface topology
Parametric projections: Can analyze orbital contributions for specific spin channels
Transport insights: Essential for understanding spin-dependent electronic properties
Non-Collinear Systems:
Spin texture mode: Revolutionary
mode="spin_texture"withspin_texture=True3D arrow visualization: Local spin directions shown as arrows on the surface
Complex magnetic structures: Essential for spin-orbit coupling and topological systems
Advanced analysis: Cross-sections reveal spin texture variations
Method Summary:¶
System Type |
Key Method |
Main Arguments |
Use Case |
|---|---|---|---|
Collinear |
|
|
Spin-resolved transport |
Non-collinear |
|
|
Magnetic textures |
Analysis |
|
|
Detailed spin structure |
Best Practices:¶
Choose the right approach: Collinear → spin channels; Non-collinear → spin texture
Optimize visualization: Adjust
texture_size,arrow_size, andsurface_opacityUse cross-sections: Reveal internal spin structure and transport pathways
Consider supercells:
supercell=[2,2,2]for better spin texture visualizationExperiment with parameters:
max_distanceaffects interpolation quality
Physical Insights:¶
Collinear systems: Compare majority vs minority spin Fermi surfaces
Non-collinear systems: Understand complex magnetic ordering and topology
Both cases: Essential for magnetic materials, spintronics, and quantum materials
This powerful combination of techniques opens up detailed analysis of magnetic Fermi surfaces!