triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_symmetry_input
- Wien2kConverter.convert_symmetry_input(orbits, symm_file, symm_subgrp, SO, SP)[source]
Reads and stores symmetrisation data from symm_file, which can be is case.sympar or case.symqmc.
- Parameters:
orbits : list of dicts
This is either shells or corr_shells depending on whether the symmetry information is for correlated shells or partial projectors.
symm_file : string
Name of the file containing symmetry data. This is case.symqmc for correlated shells and case.sympar for partial projectors.
symm_subgrp : string, optional
Name of subgroup storing symmetry data.
SO : integer
Is spin-orbit coupling considered?
SP : integer
Is the system spin-polarised?