calculate_photoionization_cs Subroutine

public subroutine calculate_photoionization_cs(p, a, b, f, s, fpath)

calculates photoionization cross sections based on orbital energies

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=*), intent(in), optional :: fpath(p%n_nuc)

Mar.19.2015: optional parameter that specifies tdipole-filepath to be read in