initial_density_matrix Function

public function initial_density_matrix(p, a, b) result(d)

this is the equivalent to initial_density but returns a density matrix instead of a grid density

Arguments

Type	Intent	Optional	Attributes		Name
type(param),	intent(in)			::	p
type(atom_set),	intent(in)			::	a(:)
type(basis),	intent(in)			::	b

Return Value real(kind=long), (b%n_basis,b%n_basis)