loewdin_population Subroutine

public subroutine loewdin_population(a, b, f, pop, dmatrix)

loewdin population analysis

Arguments

Type	Intent	Optional	Attributes		Name
type(atom_set),	intent(in)			::	a(:)
type(basis),	intent(in)			::	b
type(wf_data),	intent(in)			::	f
real(kind=long),	intent(out)			::	pop(size(a,1))
real(kind=long),	intent(in),	optional		::	dmatrix(b%n_basis,b%n_basis)