xmolecule_hole_occs_energies_efield Subroutine

public subroutine xmolecule_hole_occs_energies_efield(xdata_cptr, pos, occs, energies, efields, upots, l_e, l_occ) bind(c)

returns for hole configurations energies and occupation patterns in the presence of electric field based on Koopmann's theorem

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
real(kind=c_double),	intent(in)			::	pos(3)
integer(kind=c_int),	intent(inout)			::	occs(l_occ,l_e)
real(kind=c_double),	intent(inout)			::	energies(l_e)
real(kind=c_double),	intent(inout)			::	efields(3,l_e)
real(kind=c_double),	intent(inout)			::	upots(l_e)
integer(kind=c_int),	intent(inout)			::	l_e	length of energies
integer(kind=c_int),	intent(inout)			::	l_occ	length of occ