returns 0 for unoccupied MO 1 for singly occupied MO 2 for doubly occupied MO 2+i for orbital in average_occ_MO subspace i=1,...n if the orbitals are partially occupied
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(wf_data), | intent(in) | :: | f | |||
integer, | intent(in) | :: | mo |