Index _ | A | B | C | D | E | F | G | H | I | K | L | M | N | O | P | Q | R | S | T | U | V | W | X _ __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.AbinitKpoints method) (pyprocar.io.abinit.AbinitProcar method) (pyprocar.io.abinit.Output 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.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) AbinitKpoints (class in pyprocar.io.abinit) AbinitProcar (class in pyprocar.io.abinit) add() (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) add_axes_labels() (pyprocar.core.FermiSurface method) add_legend() (pyprocar.core.FermiSurface method) alpha (pyprocar.core.Structure property) atomic_numbers (pyprocar.core.Structure property) atomicPlot() (pyprocar.plotter.ProcarPlot method) B b (pyprocar.core.Structure property) bandgap() (in module pyprocar.scripts) bands (pyprocar.io.vasp.VaspXML property) bands_gradient (pyprocar.core.ElectronicBandStructure property) bands_gradient_mesh (pyprocar.core.ElectronicBandStructure property) bands_hessian (pyprocar.core.ElectronicBandStructure property) bands_hessian_mesh (pyprocar.core.ElectronicBandStructure property) bands_mesh (pyprocar.core.ElectronicBandStructure property) bands_projected (pyprocar.io.vasp.VaspXML property) bandsdosplot() (in module pyprocar.scripts) bandsplot() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptBandsplot) beta (pyprocar.core.Structure property) BrillouinZone (class in pyprocar.core) BxsfParser (class in pyprocar.io.bxsf) C c (pyprocar.core.Structure property) calculate_scalar_gradient() (pyprocar.core.ElectronicBandStructure method) calculate_scalar_integral() (pyprocar.core.ElectronicBandStructure method) cat() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptCat) cell_convex_hull (pyprocar.core.Structure property) centers (pyprocar.core.Surface property) change_elements() (pyprocar.pyposcar.poscar_modify method) 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) cpos (pyprocar.pyposcar.self attribute) create_isovalue_gif() (pyprocar.scripts.FermiHandler method) create_nd_mesh() (pyprocar.core.ElectronicBandStructure method) create_scaler_mesh() (pyprocar.core.ElectronicBandStructure method) create_vector_mesh() (pyprocar.core.ElectronicBandStructure method) D density (pyprocar.core.Structure property) DensityOfStates (class in pyprocar.core) dos (pyprocar.io.lobster.LobsterParser 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) dpos (pyprocar.pyposcar.self attribute) draw_fermi() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) dxyz (pyprocar.core.Isosurface property) E ebs_ipr() (pyprocar.core.ElectronicBandStructure method) ebs_ipr_atom() (pyprocar.core.ElectronicBandStructure method) ebs_sum() (pyprocar.core.ElectronicBandStructure method) EBSPlot (class in pyprocar.plotter) efermi (pyprocar.io.vasp.Outcar property) ElectronicBandStructure (class in pyprocar.core) elm (pyprocar.pyposcar.self attribute) energies (pyprocar.io.vasp.VaspXML property) energy (pyprocar.io.vasp.VaspXML property) export() (pyprocar.core.Surface method) extend_surface() (pyprocar.core.FermiSurface3D method) F faces_array (pyprocar.core.Surface property) fermi (pyprocar.io.vasp.VaspXML property) fermi2D() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptFermi2D) fermi_speed (pyprocar.core.ElectronicBandStructure property) fermi_speed_mesh (pyprocar.core.ElectronicBandStructure property) fermi_velocity (pyprocar.core.ElectronicBandStructure property) fermi_velocity_mesh (pyprocar.core.ElectronicBandStructure property) FermiHandler (class in pyprocar.scripts) FermiSurface (class in pyprocar.core) FermiSurface3D (class in pyprocar.core) file_str (pyprocar.io.vasp.Outcar attribute) filename (pyprocar.io.vasp.Outcar attribute) (pyprocar.pyposcar.self attribute) filter() (in module pyprocar.scripts.scriptFilter) final_structure (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) find_energy() (pyprocar.core.FermiSurface method) fix_collinear_spin() (pyprocar.core.ElectronicBandStructure method) flags (pyprocar.pyposcar.self attribute) forces (pyprocar.io.vasp.VaspXML property) G gamma (pyprocar.core.Structure property) generate2dkmesh() (in module pyprocar.scripts) get_current_basis() (pyprocar.core.DensityOfStates method) get_general() (pyprocar.io.vasp.VaspXML method) get_kpoints_transformed() (pyprocar.core.KPath method) get_optimized_kpoints_transformed() (pyprocar.core.KPath method) get_params() (pyprocar.io.vasp.VaspXML method) get_scstep() (pyprocar.io.vasp.VaspXML 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_spglib_symmetry_dataset() (pyprocar.core.Structure 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) getKpointLabels() (pyprocar.io.qe.QEParser method) grid() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) H harmonic_average_effective_mass (pyprocar.core.ElectronicBandStructure property) harmonic_average_effective_mass_mesh (pyprocar.core.ElectronicBandStructure property) I ibz2fbz() (pyprocar.core.ElectronicBandStructure method) incar (pyprocar.io.vasp.VaspXML property) index_mesh (pyprocar.core.ElectronicBandStructure property) initial_structure (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) interpolate_mesh_grid() (pyprocar.core.ElectronicBandStructure method) is_finished (pyprocar.io.vasp.VaspXML property) is_non_collinear (pyprocar.core.DensityOfStates property) (pyprocar.core.ElectronicBandStructure property) is_point_inside() (pyprocar.core.Structure method) Isosurface (class in pyprocar.core) iteration_data (pyprocar.io.vasp.VaspXML property) K kdistances (pyprocar.core.KPath property) KPath (class in pyprocar.core) kpath() (in module pyprocar.scripts) Kpoints (class in pyprocar.io.vasp) kpoints (pyprocar.io.vasp.VaspXML property) kpoints_cart() (pyprocar.io.qe.QEParser method) kpoints_cartesian (pyprocar.core.ElectronicBandStructure property) (pyprocar.io.vasp.Procar property) kpoints_cartesian_mesh (pyprocar.core.ElectronicBandStructure property) kpoints_list (pyprocar.io.vasp.VaspXML property) kpoints_mesh (pyprocar.core.ElectronicBandStructure property) kpoints_reduced (pyprocar.core.ElectronicBandStructure property) (pyprocar.io.vasp.Procar property) L last_energy (pyprocar.io.vasp.VaspXML property) lat (pyprocar.pyposcar.self attribute) lattice_corners (pyprocar.core.Structure property) legend() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) load_from_data() (pyprocar.pyposcar.Poscar method) LobsterParser (class in pyprocar.io.lobster) M masses (pyprocar.core.Structure property) mesh_to_array() (pyprocar.core.ElectronicBandStructure method) module pyprocar.scriptDosplot pyprocar.scripts.scriptBandsplot pyprocar.scripts.scriptCat pyprocar.scripts.scriptFermi2D pyprocar.scripts.scriptFermiHandler pyprocar.scripts.scriptFilter pyprocar.scripts.scriptRepair pyprocar.scripts.scriptUnfold N n_dos (pyprocar.core.DensityOfStates property) n_energies (pyprocar.core.DensityOfStates property) n_kx (pyprocar.core.ElectronicBandStructure property) n_ky (pyprocar.core.ElectronicBandStructure property) n_kz (pyprocar.core.ElectronicBandStructure property) n_spins (pyprocar.core.DensityOfStates property) natoms (pyprocar.core.ElectronicBandStructure property) (pyprocar.core.Structure property) nbands (pyprocar.core.ElectronicBandStructure property) nkpoints (pyprocar.core.ElectronicBandStructure property) norbitals (pyprocar.core.ElectronicBandStructure property) nprincipals (pyprocar.core.ElectronicBandStructure property) nsegments (pyprocar.core.KPath property) nspecies (pyprocar.core.Structure property) nspins (pyprocar.core.ElectronicBandStructure property) Ntotal (pyprocar.pyposcar.self attribute) numberSp (pyprocar.pyposcar.self attribute) nX (pyprocar.core.Isosurface property) nY (pyprocar.core.Isosurface property) nZ (pyprocar.core.Isosurface property) O Outcar (class in pyprocar.io.vasp) Output (class in pyprocar.io.abinit) P parametricPlot() (pyprocar.plotter.ProcarPlot method) parse() (pyprocar.pyposcar.Poscar method) parse_bxsf() (pyprocar.io.bxsf.BxsfParser method) parse_structure() (pyprocar.io.lobster.LobsterParser method) parse_vasprun() (pyprocar.io.vasp.VaspXML method) plot() (pyprocar.core.FermiSurface method) plot_atomic_levels() (pyprocar.plotter.EBSPlot method) plot_bands() (pyprocar.plotter.EBSPlot method) plot_cell_convex_hull() (pyprocar.core.Structure method) 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_kpoints() (pyprocar.core.ElectronicBandStructure 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) 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 (pyprocar.pyposcar.self attribute) 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_fermi_speed() (pyprocar.core.FermiSurface3D method) project_fermi_velocity() (pyprocar.core.FermiSurface3D method) project_harmonic_effective_mass() (pyprocar.core.FermiSurface3D method) project_spin_texture_atomic_projections() (pyprocar.core.FermiSurface3D method) projected_mesh (pyprocar.core.ElectronicBandStructure property) projected_phase_mesh (pyprocar.core.ElectronicBandStructure property) 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 ravel_array() (pyprocar.core.ElectronicBandStructure method) read() (pyprocar.io.vasp.VaspXML method) reciprocal_lattice (pyprocar.core.Structure property) (pyprocar.io.vasp.Outcar property) remove() (pyprocar.pyposcar.Poscar method) (pyprocar.pyposcar.poscar_modify method) repair() (in module pyprocar.scripts) (in module pyprocar.scripts.scriptRepair) (pyprocar.io.vasp.Procar method) rotations (pyprocar.io.vasp.Outcar property) S save() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) savefig() (pyprocar.core.FermiSurface method) scale_lattice() (pyprocar.pyposcar.poscar_modify method) scatterPlot() (pyprocar.plotter.ProcarPlot method) selectFlags (pyprocar.pyposcar.self attribute) selective (pyprocar.pyposcar.self attribute) 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) show() (pyprocar.core.FermiSurface method) (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) SiestaParser (class in pyprocar.io.siesta) sort() (pyprocar.pyposcar.Poscar method) species (pyprocar.core.Structure property) (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) spin_texture() (pyprocar.core.FermiSurface method) Structure (class in pyprocar.core) structure (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) structures (pyprocar.io.lobster.LobsterParser property) (pyprocar.io.qe.QEParser property) (pyprocar.io.vasp.VaspXML property) supercell() (pyprocar.core.Structure method) (pyprocar.pyposcar.poscar_supercell method) Surface (class in pyprocar.core) surface_boundaries (pyprocar.core.Isosurface property) symmetrize() (pyprocar.io.vasp.Procar method) T text_to_bool() (pyprocar.io.vasp.VaspXML method) tick_names (pyprocar.core.KPath property) tick_positions (pyprocar.core.KPath property) transform() (pyprocar.core.Structure method) typeSp (pyprocar.pyposcar.self attribute) U unfold() (in module pyprocar.scripts.scriptUnfold) (pyprocar.core.ElectronicBandStructure method) update_config() (pyprocar.plotter.DOSPlot method) (pyprocar.plotter.EBSPlot method) update_weights() (pyprocar.core.ElectronicBandStructure method) V variables (pyprocar.io.vasp.Outcar attribute) vasp_parameters (pyprocar.io.vasp.VaspXML property) VaspXML (class in pyprocar.io.vasp) verbose (pyprocar.pyposcar.Poscar.self attribute) volume (pyprocar.core.Structure property) (pyprocar.pyposcar.self attribute) W weights_mesh (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 xyz() (pyprocar.pyposcar.Poscar method)