calculate_photoionization_cs_spin_avg Subroutine

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

calculates photoionization cross sections based on orbital energies resolving individual spin configurations and averaging over configurations

Arguments

Type	Intent	Optional	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