calculate_hole_energies_efield Subroutine

public subroutine calculate_hole_energies_efield(p, a, b, f, pos, occs_out, energies_out, efield_out, upot_out, output)

calculates Koopmann's hole energies in the presence of an electric field

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(inout)			::	f
real(kind=long),	intent(in)			::	pos(3)
integer,		optional		::	occs_out(:,:)
real(kind=long),		optional		::	energies_out(:)
real(kind=long),		optional		::	efield_out(:,:)
real(kind=long),		optional		::	upot_out(:)
integer,	intent(in),	optional		::	output