radtools.DOSQE.wfc_numbers

method

DOSQE.wfc_numbers(atom: str, wfc_symbol, atom_number: int = None)

Return list of wave function numbers for particular atom and wave function type.

Parameters:

atomstr

Label of an atom.

wfc_symbolstr

Label of a wave function type.

atom_numberint, optional

Number of an atom. If None then return wfc numbers of first atom.

Returns:

wfc_numberslist

List of wave function numbers

wfc_numbers = [wfc_number, ...]