!-----------------------------------------------------------------------------------------!
! Copyright (c) 2018 Peter Grünberg Institut, Forschungszentrum Jülich, Germany !
! This file is part of Jülich KKR code and available as free software under the conditions!
! of the MIT license as expressed in the LICENSE.md file in more detail. !
!-----------------------------------------------------------------------------------------!
!------------------------------------------------------------------------------------
!> Summary: Set potential equal zero between muffin-tin and outer sphere
!> Author:
!> Set potential equal zero between muffin-tin and outer sphere
!------------------------------------------------------------------------------------
module mod_potcut
use :: mod_datatypes, only: dp
private :: dp
contains
!-------------------------------------------------------------------------------
!> Summary: Set potential equal zero between muffin-tin and outer sphere
!> Author:
!> Category: potential, KKRhost
!> Deprecated: False
!> Set potential equal zero between muffin-tin and outer sphere
!-------------------------------------------------------------------------------
subroutine potcut(imt1, irc1, ins, lmpot, r, vm2z, vspsme, vins, z1, irmd, irmind)
implicit none
! ..
! .. Scalar Arguments ..
integer, intent(in) :: ins !! (LPOT+1)**2
integer, intent(in) :: imt1 !! R point at MT radius
integer, intent(in) :: irc1 !! R point for potential cutting
integer, intent(in) :: irmd !! Maximum number of radial points
integer, intent(in) :: lmpot !! (LPOT+1)**2
integer, intent(in) :: irmind !! irmd - irnsd
real (kind=dp), intent(in) :: z1 !! Nuclear charge
real (kind=dp), dimension(*), intent(in) :: r !! Radial mesh ( in units a Bohr)
real (kind=dp), dimension(*), intent(inout) :: vm2z
real (kind=dp), dimension(*), intent(inout) :: vspsme
real (kind=dp), dimension(irmind:irmd, *), intent(inout) :: vins !! Non-spherical part of the potential
! ..
! .. Local Scalars ..
integer :: ir, ist, lm
! ..
! .. Intrinsic Functions ..
intrinsic :: max
! ..
write (1337, *) 'potcut: potential equal 2*Z/R between MT ', 'and outer sphere'
do ir = imt1 + 1, irc1
vm2z(ir) = 2.0e0_dp*z1/r(ir)
vspsme(ir) = 2.0e0_dp*z1/r(ir)
end do
if (ins>=1) then
ist = max(irmind, imt1+1)
do ir = ist, irc1
do lm = 2, lmpot
vins(ir, lm) = 0.0e0_dp
end do
end do
end if
end subroutine potcut ! SUBROUTINE POTCUT
end module mod_potcut
