FORCEH Subroutine

public subroutine FORCEH(CMOM, FLMH, LMAX, LMPOTD, NSPIN, NATOM, CELL, DENSITY, VPOT, IRMD, ZATOM, INS)

Calculates the force on nucleus m with Hellmann - Feynman theor !em from a given non spherical charge density at the nucleus site r

Arguments

Type IntentOptional Attributes Name
double precision :: CMOM(LMPOTD,NATOM)
double precision :: FLMH(-1:1,NATOM)
integer :: LMAX
integer :: LMPOTD
integer :: NSPIN
integer :: NATOM
type(CELL_TYPE) :: CELL(NATOM)
type(DENSITY_TYPE) :: DENSITY(NATOM)
double precision :: VPOT(IRMD,LMPOTD,NSPIN,NATOM)
integer :: IRMD
double precision :: ZATOM(NATOM)
integer :: INS