Index _ | A | B | C | D | E | F | G | H | I | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z _ __init__() (pyprocar.core.BrillouinZone method) (pyprocar.core.DensityOfStates method) (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) (pyprocar.core.FermiSurface3D method) (pyprocar.core.Isosurface method) (pyprocar.core.KPath method) (pyprocar.core.Structure method) (pyprocar.core.Surface method) (pyprocar.io.abinit.AbinitDOSParser method) (pyprocar.io.abinit.AbinitOutput method) (pyprocar.io.abinit.AbinitParser method) (pyprocar.io.abinit.AbinitProcar method) (pyprocar.io.bxsf.BxsfParser method) (pyprocar.io.lobster.LobsterParser method) (pyprocar.io.qe.QEParser method) (pyprocar.io.siesta.SiestaParser method) (pyprocar.io.vasp.Kpoints method) (pyprocar.io.vasp.Outcar method) (pyprocar.io.vasp.Poscar method) (pyprocar.io.vasp.Procar method) (pyprocar.io.vasp.VaspParser method) (pyprocar.io.vasp.VaspXML method) (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) (pyprocar.plotter.ProcarPlot method) (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) (pyprocar.pyposcar.poscar_supercell method) (pyprocar.scripts.FermiHandler method) A a (pyprocar.core.Structure property) AbinitDOSParser (class in pyprocar.io.abinit) AbinitKpoints (class in pyprocar.io.abinit) AbinitOutput (class in pyprocar.io.abinit) AbinitParser (class in pyprocar.io.abinit) AbinitProcar (class in pyprocar.io.abinit) add() (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) alpha (pyprocar.core.Structure property) arrow_size (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) as_dict() (pyprocar.cfg.band_structure.BandStructureConfig method) (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig method) ATOMIC (pyprocar.cfg.band_structure.BandStructureMode attribute) atomic_numbers (pyprocar.core.Structure property) atomicPlot() (pyprocar.plotter.ProcarPlot method) AVG_INV_EFFECTIVE_MASS (pyprocar.cfg.fermi_surface_3d.FermiSurfaceProperty attribute) axes_label_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) axes_line_width (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) B b (pyprocar.core.Structure property) background_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) band_indices (pyprocar.core.FermiSurface property) band_property_names (pyprocar.core.ElectronicBandStructure property) band_spin_surface_map (pyprocar.core.FermiSurface property) bandgap() (in module pyprocar.scripts) bands (pyprocar.core.ElectronicBandStructure property) (pyprocar.io.vasp.VaspXML property) bands_projected (pyprocar.io.vasp.VaspXML property) bandsdosplot() (in module pyprocar.scripts) bandsplot() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptBandsplot) BandStructureConfig (class in pyprocar.cfg.band_structure) BandStructureMode (class in pyprocar.cfg.band_structure) BandStructureProperty (class in pyprocar.cfg.band_structure) beta (pyprocar.core.Structure property) brillouin_zone (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.FermiSurface property) (pyprocar.core.KPath property) brillouin_zone_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) brillouin_zone_line_width (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) brillouin_zone_opacity (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) brillouin_zone_style (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) BrillouinZone (class in pyprocar.core) BxsfParser (class in pyprocar.io.bxsf) C c (pyprocar.core.Structure property) cat() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptCat) cell_convex_hull (pyprocar.core.Structure property) centers (pyprocar.core.BrillouinZone property) (pyprocar.core.Surface property) change_elements() (pyprocar.pyposcar.poscar_modify method) clim (pyprocar.cfg.band_structure.BandStructureConfig attribute) cmap (pyprocar.cfg.band_structure.BandStructureConfig attribute) colinear_spins_dict (pyprocar.io.vasp.VaspXML attribute) color (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_label_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_tick_labelsize (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_tick_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_title (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_title_padding (pyprocar.cfg.band_structure.BandStructureConfig attribute) colorbar_title_size (pyprocar.cfg.band_structure.BandStructureConfig attribute) compute_atomic_projection() (pyprocar.core.FermiSurface method) compute_avg_inv_effective_mass() (pyprocar.core.FermiSurface method) compute_ebs_ipr() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) compute_ebs_ipr_atom() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) compute_fermi_speed() (pyprocar.core.FermiSurface method) compute_fermi_velocity() (pyprocar.core.FermiSurface method) compute_gradient() (pyprocar.core.FermiSurface method) compute_projected_sum() (pyprocar.core.ElectronicBandStructure method) compute_projected_sum_spin_texture() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) compute_property() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) compute_spin_texture() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) continuous_start_indices (pyprocar.core.KPath property) conv() (pyprocar.io.vasp.VaspXML method) convergence (pyprocar.io.vasp.VaspXML property) convergence_electronic (pyprocar.io.vasp.VaspXML property) convergence_ionic (pyprocar.io.vasp.VaspXML property) coupled_to_uncoupled_basis() (pyprocar.core.DensityOfStates method) create_isovalue_gif() (pyprocar.scripts.FermiHandler method) cross_section_slice_linewidth (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) cross_section_slice_show_area (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) D density (pyprocar.core.Structure property) DensityOfStates (class in pyprocar.core) discontinuity_start_indices (pyprocar.core.KPath property) dos (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.bxsf.BxsfParser property) (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspParser property) (pyprocar.io.vasp.VaspXML property) dos_parametric() (pyprocar.io.lobster.LobsterParser method) dos_projected (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.vasp.VaspXML property) dos_sum() (pyprocar.core.DensityOfStates method) dos_to_dict (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.vasp.VaspXML property) dos_total (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.vasp.VaspXML property) DOSPlot (class in pyprocar.plotter) dosplot() (in module pyprocar.scripts) dpi (pyprocar.cfg.band_structure.BandStructureConfig attribute) draw_baseline() (pyprocar.plotter.DOSPlot method) draw_fermi() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) dxyz (pyprocar.core.Isosurface property) E ebs (pyprocar.core.FermiSurface property) (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.bxsf.BxsfParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspParser property) ebs_ipr_atom (pyprocar.core.ElectronicBandStructure property) ebs_sum() (pyprocar.core.ElectronicBandStructure method) EBSPlot (class in pyprocar.plotter) ElectronicBandStructure (class in pyprocar.core) energies (pyprocar.io.vasp.VaspXML property) energy (pyprocar.io.vasp.VaspXML property) export() (pyprocar.core.Surface method) export_data() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) extend_surface() (pyprocar.core.FermiSurface method) (pyprocar.core.FermiSurface3D method) extended_zone_directions (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) extract_band_index() (pyprocar.core.ElectronicBandStructure static method) extract_property_label() (pyprocar.core.ElectronicBandStructure static method) F faces_array (pyprocar.core.BrillouinZone property) (pyprocar.core.Surface property) fermi (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.FermiSurface property) (pyprocar.io.vasp.Outcar property) (pyprocar.io.vasp.VaspXML property) fermi2D() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptFermi2D) fermi_color (pyprocar.cfg.band_structure.BandStructureConfig attribute) fermi_linestyle (pyprocar.cfg.band_structure.BandStructureConfig attribute) fermi_linewidth (pyprocar.cfg.band_structure.BandStructureConfig attribute) fermi_shift (pyprocar.core.FermiSurface property) FERMI_SPEED (pyprocar.cfg.fermi_surface_3d.FermiSurfaceProperty attribute) fermi_tolerance (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) FERMI_VELOCITY (pyprocar.cfg.fermi_surface_3d.FermiSurfaceProperty attribute) FermiHandler (class in pyprocar.scripts) FermiSurface (class in pyprocar.core) FermiSurface3D (class in pyprocar.core) FermiSurface3DConfig (class in pyprocar.cfg.fermi_surface_3d) FermiSurfaceMode (class in pyprocar.cfg.fermi_surface_3d) FermiSurfaceProperty (class in pyprocar.cfg.fermi_surface_3d) figure_size (pyprocar.cfg.band_structure.BandStructureConfig attribute) filter() (in module pyprocar.scripts.scriptFilter) final_structure (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) fix_collinear_spin() (pyprocar.core.ElectronicBandStructure method) forces (pyprocar.io.vasp.VaspXML property) format_property_data() (pyprocar.core.FermiSurface method) from_code() (pyprocar.core.ElectronicBandStructure class method) (pyprocar.core.FermiSurface class method) G gamma (pyprocar.core.Structure property) generate2dkmesh() (in module pyprocar.scripts) generate_points() (pyprocar.core.KPath method) get_atom_label() (pyprocar.core.ElectronicBandStructure static method) get_atomic_orbital_label() (pyprocar.core.ElectronicBandStructure static method) get_band_label() (pyprocar.core.ElectronicBandStructure static method) get_band_property_label() (pyprocar.core.ElectronicBandStructure static method) get_brillouin_zone() (pyprocar.core.FermiSurface method) get_continuous_segments() (pyprocar.core.KPath method) get_current_basis() (pyprocar.core.DensityOfStates method) get_distances() (pyprocar.core.KPath method) get_general() (pyprocar.io.vasp.VaspXML method) get_kpoints_transformed() (pyprocar.core.KPath method) get_optimized_kpoints_transformed() (pyprocar.core.KPath method) get_orbital_label() (pyprocar.core.ElectronicBandStructure static method) get_params() (pyprocar.io.vasp.VaspXML method) get_property() (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.FermiSurface method) get_property_gradient_label() (pyprocar.core.ElectronicBandStructure static method) get_property_hessian_label() (pyprocar.core.ElectronicBandStructure static method) get_scstep() (pyprocar.io.vasp.VaspXML method) get_segment_indices() (pyprocar.core.KPath method) get_segments() (pyprocar.core.KPath method) get_set() (pyprocar.io.vasp.VaspXML method) get_space_group_international() (pyprocar.core.Structure method) get_space_group_number() (pyprocar.core.Structure method) get_special_kpoint_names() (pyprocar.core.KPath method) get_special_kpoints() (pyprocar.core.KPath method) get_spglib_symmetry_dataset() (pyprocar.core.Structure method) get_spin_projection_label() (pyprocar.core.ElectronicBandStructure static method) get_structure() (pyprocar.io.vasp.VaspXML method) get_symmetry_operations() (pyprocar.io.vasp.Outcar method) get_varray() (pyprocar.io.vasp.VaspXML method) get_wyckoff_positions() (pyprocar.core.Structure method) grid (pyprocar.cfg.band_structure.BandStructureConfig attribute) grid() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) grid_axis (pyprocar.cfg.band_structure.BandStructureConfig attribute) grid_color (pyprocar.cfg.band_structure.BandStructureConfig attribute) grid_linestyle (pyprocar.cfg.band_structure.BandStructureConfig attribute) grid_linewidth (pyprocar.cfg.band_structure.BandStructureConfig attribute) grid_which (pyprocar.cfg.band_structure.BandStructureConfig attribute) H has_dos (pyprocar.io.vasp.VaspXML property) has_phase (pyprocar.core.ElectronicBandStructure property) has_spin_channels() (pyprocar.core.ElectronicBandStructure method) I incar (pyprocar.io.vasp.VaspXML property) initial_structure (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) interpolation_factor (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) inv_reciprocal_lattice (pyprocar.core.ElectronicBandStructure property) is_band_property() (pyprocar.core.ElectronicBandStructure method) is_empty_mesh() (pyprocar.core.FermiSurface3D method) is_finished (pyprocar.io.vasp.VaspXML property) is_grid (pyprocar.core.ElectronicBandStructure property) is_non_collinear (pyprocar.core.DensityOfStates property) (pyprocar.core.ElectronicBandStructure property) is_noncolinear (pyprocar.io.vasp.VaspXML property) is_orbital_property() (pyprocar.core.ElectronicBandStructure method) is_point_inside() (pyprocar.core.Structure method) is_spin_polarized (pyprocar.core.ElectronicBandStructure property) isoslider_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) isoslider_style (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) isoslider_title (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) Isosurface (class in pyprocar.core) iter_properties() (pyprocar.core.ElectronicBandStructure method) iteration_data (pyprocar.io.vasp.VaspXML property) K k_distances (pyprocar.core.KPath property) kgrid (pyprocar.io.abinit.AbinitParser property) knames (pyprocar.core.KPath property) KPath (class in pyprocar.core) kpath (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.bxsf.BxsfParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspParser property) kpath() (in module pyprocar.scripts) Kpoints (class in pyprocar.io.vasp) kpoints (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.KPath property) (pyprocar.io.vasp.VaspXML property) kpoints_cart() (pyprocar.io.qe.QEParser method) kpoints_cartesian (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.KPath property) kpoints_list (pyprocar.io.vasp.VaspXML property) kpoints_reduced (pyprocar.io.vasp.Procar property) L label (pyprocar.cfg.band_structure.BandStructureConfig attribute) labels (pyprocar.io.vasp.Procar attribute) last_energy (pyprocar.io.vasp.VaspXML property) lattice_corners (pyprocar.core.Structure property) legend (pyprocar.cfg.band_structure.BandStructureConfig attribute) legend() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) linestyle (pyprocar.cfg.band_structure.BandStructureConfig attribute) linewidth (pyprocar.cfg.band_structure.BandStructureConfig attribute) load() (pyprocar.core.DensityOfStates class method) (pyprocar.core.ElectronicBandStructure class method) (pyprocar.core.Structure class method) load_from_data() (pyprocar.pyposcar.Poscar method) LobsterParser (class in pyprocar.io.lobster) M major_x_tick_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) major_y_locator (pyprocar.cfg.band_structure.BandStructureConfig attribute) major_y_tick_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) marker (pyprocar.cfg.band_structure.BandStructureConfig attribute) markersize (pyprocar.cfg.band_structure.BandStructureConfig attribute) masses (pyprocar.core.Structure property) max_distance (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) minor_y_locator (pyprocar.cfg.band_structure.BandStructureConfig attribute) minor_y_tick_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) mode (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) modes (pyprocar.cfg.band_structure.BandStructureConfig attribute) module pyprocar.cfg.band_structure pyprocar.cfg.fermi_surface_3d pyprocar.scriptDosplot pyprocar.scripts.scriptBandsplot pyprocar.scripts.scriptCat pyprocar.scripts.scriptFermi2D pyprocar.scripts.scriptFermiHandler pyprocar.scripts.scriptFilter pyprocar.scripts.scriptRepair pyprocar.scripts.scriptUnfold multiple_locator_y_major_value (pyprocar.cfg.band_structure.BandStructureConfig attribute) multiple_locator_y_minor_value (pyprocar.cfg.band_structure.BandStructureConfig attribute) N n_atoms (pyprocar.core.ElectronicBandStructure property) n_bands (pyprocar.core.ElectronicBandStructure property) n_dos (pyprocar.core.DensityOfStates property) n_energies (pyprocar.core.DensityOfStates property) n_grids (pyprocar.core.KPath property) n_kpoints (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.KPath property) n_orbitals (pyprocar.core.ElectronicBandStructure property) n_points (pyprocar.core.FermiSurface property) n_segments (pyprocar.core.KPath property) n_spin_channels (pyprocar.core.ElectronicBandStructure property) n_spins (pyprocar.core.DensityOfStates property) (pyprocar.core.ElectronicBandStructure property) natoms (pyprocar.core.Structure property) non_colinear_spins_dict (pyprocar.io.vasp.VaspXML attribute) normalize_dos() (pyprocar.core.DensityOfStates method) nspecies (pyprocar.core.Structure property) nX (pyprocar.core.Isosurface property) nY (pyprocar.core.Isosurface property) nZ (pyprocar.core.Isosurface property) O opacity (pyprocar.cfg.band_structure.BandStructureConfig attribute) orbital_names (pyprocar.core.ElectronicBandStructure property) (pyprocar.io.vasp.Procar attribute) orbital_names_old (pyprocar.io.vasp.Procar attribute) orbital_names_short (pyprocar.io.vasp.Procar attribute) Outcar (class in pyprocar.io.vasp) OVERLAY (pyprocar.cfg.band_structure.BandStructureMode attribute) OVERLAY_ORBITALS (pyprocar.cfg.band_structure.BandStructureMode attribute) OVERLAY_SPECIES (pyprocar.cfg.band_structure.BandStructureMode attribute) P padded_ebs (pyprocar.core.FermiSurface property) padded_grid (pyprocar.core.FermiSurface property) padding (pyprocar.core.FermiSurface property) PARAMETRIC (pyprocar.cfg.band_structure.BandStructureMode attribute) (pyprocar.cfg.fermi_surface_3d.FermiSurfaceMode attribute) parametricPlot() (pyprocar.plotter.ProcarPlot method) parse() (pyprocar.pyposcar.Poscar method) parse_bxsf() (pyprocar.io.bxsf.BxsfParser method) parse_structure() (pyprocar.io.lobster.LobsterParser method) PLAIN (pyprocar.cfg.band_structure.BandStructureMode attribute) (pyprocar.cfg.fermi_surface_3d.FermiSurfaceMode attribute) plot() (pyprocar.core.KPath method) plot_atomic_levels() (pyprocar.plotter.EBSPlot method) plot_bands() (pyprocar.plotter.EBSPlot method) plot_cell_convex_hull() (pyprocar.core.Structure method) plot_color_bar (pyprocar.cfg.band_structure.BandStructureConfig attribute) plot_dos() (pyprocar.plotter.DOSPlot method) plot_fermi_cross_section() (pyprocar.scripts.FermiHandler method) plot_fermi_cross_section_box_widget() (pyprocar.scripts.FermiHandler method) plot_fermi_isoslider() (pyprocar.scripts.FermiHandler method) plot_fermi_surface() (pyprocar.scripts.FermiHandler method) plot_parameteric() (pyprocar.plotter.EBSPlot method) plot_parameteric_overlay() (pyprocar.plotter.EBSPlot method) plot_parametric() (pyprocar.plotter.DOSPlot method) plot_parametric_line() (pyprocar.plotter.DOSPlot method) plot_scatter() (pyprocar.plotter.EBSPlot method) plot_stack() (pyprocar.plotter.DOSPlot method) plot_stack_orbitals() (pyprocar.plotter.DOSPlot method) plot_stack_species() (pyprocar.plotter.DOSPlot method) plotBands() (pyprocar.plotter.ProcarPlot method) plotter_camera_pos (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) plotter_offscreen (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) pos_multiply() (pyprocar.pyposcar.poscar_modify method) pos_sum() (pyprocar.pyposcar.poscar_modify method) Poscar (class in pyprocar.io.vasp) (class in pyprocar.pyposcar) poscar_modify (class in pyprocar.pyposcar) poscar_supercell (class in pyprocar.pyposcar) poscarDiff() (in module pyprocar.pyposcar) potcar_info (pyprocar.io.vasp.VaspXML property) print_default_settings() (pyprocar.scripts.FermiHandler method) Procar (class in pyprocar.io.vasp) ProcarPlot (class in pyprocar.plotter) project_atomic_projections() (pyprocar.core.FermiSurface3D method) project_avg_inv_effective_mass() (pyprocar.core.FermiSurface3D method) project_fermi_speed() (pyprocar.core.FermiSurface3D method) project_fermi_velocity() (pyprocar.core.FermiSurface3D method) project_property() (pyprocar.core.FermiSurface method) project_spin_texture_atomic_projections() (pyprocar.core.FermiSurface3D method) projected (pyprocar.core.ElectronicBandStructure property) projected_phase (pyprocar.core.ElectronicBandStructure property) projected_sum (pyprocar.core.ElectronicBandStructure property) projected_sum_spin_texture (pyprocar.core.ElectronicBandStructure property) projection_accuracy (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) property (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) property_name (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) property_names (pyprocar.core.ElectronicBandStructure property) pyprocar.cfg.band_structure module pyprocar.cfg.fermi_surface_3d module pyprocar.scriptDosplot module pyprocar.scripts.scriptBandsplot module pyprocar.scripts.scriptCat module pyprocar.scripts.scriptFermi2D module pyprocar.scripts.scriptFermiHandler module pyprocar.scripts.scriptFilter module pyprocar.scripts.scriptRepair module pyprocar.scripts.scriptUnfold module Q QEParser (class in pyprocar.io.qe) R reciprocal_lattice (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.FermiSurface property) (pyprocar.core.KPath property) (pyprocar.core.Structure property) (pyprocar.io.vasp.Outcar property) reduce_bands() (pyprocar.core.ElectronicBandStructure method) reduce_bands_by_index() (pyprocar.core.ElectronicBandStructure method) reduce_bands_near_energy() (pyprocar.core.ElectronicBandStructure method) reduce_bands_near_fermi() (pyprocar.core.ElectronicBandStructure method) remove() (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) repair() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptRepair) rotations (pyprocar.core.Structure property) (pyprocar.io.vasp.Outcar property) S SACATTER (pyprocar.cfg.band_structure.BandStructureMode attribute) save() (pyprocar.core.DensityOfStates method) (pyprocar.core.ElectronicBandStructure method) (pyprocar.core.Structure method) (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) save_gif_config (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) save_mesh_config (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) save_mp4_config (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) savefig (pyprocar.cfg.band_structure.BandStructureConfig attribute) scalar_bar_config (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) scale_lattice() (pyprocar.pyposcar.poscar_modify method) scatterPlot() (pyprocar.plotter.ProcarPlot method) segment_indices (pyprocar.core.KPath property) segment_names (pyprocar.core.KPath property) set_color_with_cmap() (pyprocar.core.Surface method) set_colorbar_title() (pyprocar.plotter.EBSPlot method) set_scalars() (pyprocar.core.Surface method) set_title() (pyprocar.plotter.EBSPlot method) set_vectors() (pyprocar.core.Surface method) set_xlabel() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) set_xlim() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) set_xticks() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) set_ylabel() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) set_ylim() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) set_yticks() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) shift() (pyprocar.pyposcar.poscar_modify method) shift_bands() (pyprocar.core.ElectronicBandStructure method) shift_kpoints_to_fbz() (pyprocar.core.ElectronicBandStructure method) show() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) show_axes (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) show_brillouin_zone (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) show_scalar_bar (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) SiestaParser (class in pyprocar.io.siesta) sort() (pyprocar.pyposcar.Poscar method) special_kpoint_map (pyprocar.core.KPath property) special_kpoint_names (pyprocar.core.KPath property) special_kpoints (pyprocar.core.KPath property) species (pyprocar.core.Structure property) (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) spin_channels (pyprocar.core.ElectronicBandStructure property) spin_colors (pyprocar.cfg.band_structure.BandStructureConfig attribute) (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) spin_projection_names (pyprocar.core.ElectronicBandStructure property) SPIN_TEXTURE (pyprocar.cfg.fermi_surface_3d.FermiSurfaceMode attribute) spin_texture (pyprocar.core.ElectronicBandStructure property) spins_dict (pyprocar.io.vasp.VaspXML property) Structure (class in pyprocar.core) structure (pyprocar.core.ElectronicBandStructure property) (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.bxsf.BxsfParser property) (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspParser property) (pyprocar.io.vasp.VaspXML property) structures (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) supercell (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) supercell() (pyprocar.core.Structure method) (pyprocar.pyposcar.poscar_supercell method) Surface (class in pyprocar.core) surface_band_spin_map (pyprocar.core.FermiSurface property) surface_bands_colors (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) surface_boundaries (pyprocar.core.Isosurface property) surface_clim (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) surface_cmap (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) surface_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) surface_opacity (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) T text_to_bool() (pyprocar.io.vasp.VaspXML method) texture_clim (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) texture_cmap (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) texture_color (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) texture_opacity (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) texture_scale (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) texture_size (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) tick_name_map (pyprocar.core.KPath property) tick_names (pyprocar.core.KPath property) tick_names_latex (pyprocar.core.KPath property) tick_positions (pyprocar.core.KPath property) title (pyprocar.cfg.band_structure.BandStructureConfig attribute) title_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) to_dict() (pyprocar.io.vasp.Outcar method) transform() (pyprocar.core.Structure method) transform_matrix_to_cart (pyprocar.core.FermiSurface property) transform_matrix_to_frac (pyprocar.core.FermiSurface property) U unfold() (in module pyprocar.scripts.scriptUnfold) (pyprocar.core.ElectronicBandStructure method) update_config() (pyprocar.plotter.DOSPlot method) update_point_data() (pyprocar.core.FermiSurface method) V vasp_parameters (pyprocar.io.vasp.VaspXML property) VaspParser (class in pyprocar.io.vasp) VaspXML (class in pyprocar.io.vasp) version (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.vasp.Outcar property) (pyprocar.io.vasp.VaspParser property) version_tuple (pyprocar.io.abinit.AbinitParser property) (pyprocar.io.vasp.Outcar property) (pyprocar.io.vasp.VaspParser property) volume (pyprocar.core.Structure property) W weighted_color (pyprocar.cfg.band_structure.BandStructureConfig attribute) weighted_width (pyprocar.cfg.band_structure.BandStructureConfig attribute) weights (pyprocar.core.ElectronicBandStructure property) wigner_seitz() (pyprocar.core.BrillouinZone method) write() (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) (pyprocar.pyposcar.poscar_supercell method) write_to_file() (pyprocar.core.KPath method) X x_axes_label (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) x_label (pyprocar.cfg.band_structure.BandStructureConfig attribute) x_label_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) xyz() (pyprocar.pyposcar.Poscar method) Y y_axes_label (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute) y_label_params (pyprocar.cfg.band_structure.BandStructureConfig attribute) Z z_axes_label (pyprocar.cfg.fermi_surface_3d.FermiSurface3DConfig attribute)