calculate_photoionization_cs_ci Subroutine

public subroutine calculate_photoionization_cs_ci(p, a, b, f, g, fpath)

computes photoionizatio cross sections employing configuration interaction calculations

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(inout) :: f
type(grid3d), intent(in) :: g
character(len=*), intent(in), optional :: fpath(p%n_nuc)

Mar.19.2015: optiona