prepare_initial_guess Subroutine

public subroutine prepare_initial_guess(p, a, g, b, f)

prepares the initial guess

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(atom_set), intent(in) :: a(:)
type(grid3d), intent(in) :: g
type(basis), intent(in) :: b
type(wf_data), intent(inout) :: f