triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_symmetry_input

Wien2kConverter.convert_symmetry_input(orbits, symm_file, symm_subgrp, SO, SP)

Reads and stores symmetrisation data from symm_file, which can be is case.sympar or case.symqmc.

Parameters:

orbitslist of dicts

This is either shells or corr_shells depending on whether the symmetry information is for correlated shells or partial projectors.

symm_filestring

Name of the file containing symmetry data. This is case.symqmc for correlated shells and case.sympar for partial projectors.

symm_subgrpstring, optional

Name of subgroup storing symmetry data.

SOinteger

Is spin-orbit coupling considered?

SPinteger

Is the system spin-polarised?