triqs_dft_tools.converters.wien2k.Wien2kConverter.det_shell_equivalence
- Wien2kConverter.det_shell_equivalence(corr_shells)
Determine the equivalence of correlated shells.
- Parameters:
corr_shells : list of dicts
See documentation of necessary hdf5 elements.
- Returns:
n_inequiv_shells : integer
Number of inequivalent shells.
corr_to_inequiv : list
Mapping between correlated shell index and inequivalent shell index. corr_to_inequiv(i_corr_shells) = i_inequiv_shells
inequiv_to_corr : list
Mapping between inequivalent shell index and correlated shell index. inequiv_to_corr(i_inequiv_shells) = i_corr_shells