public subroutine shakeup_analysis(output, p, f)
performs an analysis of shakeup transitions based on mutual overlap of molecular orbitals
Arguments
| Type |
Intent | Optional | Attributes |
|
Name |
|
|
integer,
|
intent(in) |
|
|
:: |
output |
|
|
type(param),
|
intent(in) |
|
|
:: |
p |
|
|
type(wf_data),
|
intent(in) |
|
|
:: |
f |
|