Documentation
This page contains the documentation of all routines in IrRep. Each section
below corresponds to a file in forming part of the code. For example, if you
click on section bandstructure, you will be directed to a page containing
descriptions for all routines in bandstructure.py.
Have in mind that, since IrRep is intended to be a command line tool, this
documentations purpose it to guide developers in the understanding of the each
routine and object in the code, which means that descriptions are pretty detailed
and docstrings belonging to private routines of classes are also included.
- cli
- bandstructure
BandStructureBandStructure.spacegroupBandStructure.spinorBandStructure.efermiBandStructure.Ecut0BandStructure.EcutBandStructure.LatticeBandStructure.RecLatticeBandStructure.kpointsBandStructure.num_bandinvsBandStructure.gap_directBandStructure.gap_indirectBandStructure.num_kBandStructure.num_bandsBandStructure.KPOINTSline()BandStructure.Separate()BandStructure.gap_directBandStructure.gap_indirectBandStructure.identify_irreps()BandStructure.json()BandStructure.num_bandinvsBandStructure.num_bandsBandStructure.num_kBandStructure.wcc()BandStructure.write_characters()BandStructure.write_irrepsfile()BandStructure.write_plotfile()BandStructure.write_trace()BandStructure.zakphase()
- kpoint
KpointKpoint.spinorKpoint.ik0Kpoint.num_bandsKpoint.RecLatticeKpoint.WFKpoint.igKpoint.kKpoint.KKpoint.k_refUCKpoint.Energy_rawKpoint.Energy_meanKpoint.upperKpoint.symmetries_SGKpoint.symmetriesKpoint.charKpoint.char_refUCKpoint.degeneraciesKpoint.bordersKpoint.Energy_meanKpoint.num_bandinvsKpoint.NGKpoint.onlytracesKpoint.KKpoint.NGKpoint.Separate()Kpoint.calculate_traces()Kpoint.copy_sub()Kpoint.get_rho_spin()Kpoint.identify_irreps()Kpoint.json()Kpoint.k_close_mod1()Kpoint.overlap()Kpoint.unfold()Kpoint.write_characters()Kpoint.write_irrepsfile()Kpoint.write_trace()
- spacegroup
SpaceGroupSpaceGroup.spinorSpaceGroup.symmetriesSpaceGroup.symmetries_tablesSpaceGroup.nameSpaceGroup.numberSpaceGroup.LatticeSpaceGroup.positionsSpaceGroup.typatSpaceGroup.orderSpaceGroup.refUCSpaceGroup.shiftUCSpaceGroup.alatSpaceGroup.from_sym_fileSpaceGroup.determine_basis_transf()SpaceGroup.get_irreps_from_table()SpaceGroup.json()SpaceGroup.match_symmetries()SpaceGroup.show()SpaceGroup.str()SpaceGroup.vecs_centering()SpaceGroup.vecs_inv_centers()SpaceGroup.write_sym_file()SpaceGroup.write_trace()
SymmetryOperationSymmetryOperation.indSymmetryOperation.rotationSymmetryOperation.translationSymmetryOperation.LatticeSymmetryOperation.axisSymmetryOperation.angleSymmetryOperation.inversionSymmetryOperation.angle_strSymmetryOperation.spinorSymmetryOperation.spinor_rotationSymmetryOperation.signSymmetryOperation.get_angle_str()SymmetryOperation.json_dict()SymmetryOperation.rotation_refUC()SymmetryOperation.show()SymmetryOperation.str()SymmetryOperation.str2()SymmetryOperation.str_sym()SymmetryOperation.translation_refUC()
cart_to_crystal()read_sym_file()
- readfiles
- gvectors
- utility
- __init__