triqs_dft_tools.converters.wannier90.Wannier90Converter.det_shell_equivalence

Wannier90Converter.det_shell_equivalence(corr_shells)

Determine the equivalence of correlated shells.

Parameters:

corr_shellslist of dicts

See documentation of necessary hdf5 elements.

Returns:

n_inequiv_shellsinteger

Number of inequivalent shells.

corr_to_inequivlist

Mapping between correlated shell index and inequivalent shell index. corr_to_inequiv(i_corr_shells) = i_inequiv_shells

inequiv_to_corrlist

Mapping between inequivalent shell index and correlated shell index. inequiv_to_corr(i_inequiv_shells) = i_corr_shells