calcaugerrates_spin_avg Subroutine

public subroutine calcaugerrates_spin_avg(p, a, b, f, s, auger_fpath)

calculates Auger-Meitner decay transitions based on orbital energy differences resolving individual spin configurations and considering averaging over configuration

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(atom_set), intent(in) :: a(:)
type(basis), intent(in) :: b
type(wf_data), intent(in) :: f
type(process_data), intent(inout) :: s
character(len=*), optional :: auger_fpath(:)

Currently we use char*(128) in MC code