Commit 478a3b2f authored by Matthias Redies's avatar Matthias Redies

load types

parent 5a552068
......@@ -4,8 +4,23 @@ MODULE m_cdntot
! vacuum, and mt regions c.l.fu
! ********************************************************
CONTAINS
SUBROUTINE integrate_grid(stars, atoms, sym, vacuum, input, cell, oneD, sphhar, nsp, is_inte, mt_inte)
SUBROUTINE integrate_grid(xcpot, stars, atoms, sym, vacuum, input, cell, oneD, sphhar,noco,&
is_inte, mt_inte, &
q, qis, qmt, qvac, qtot, qistot)
USE m_pw_tofrom_grid
USE m_types
USE m_constants
IMPLICIT NONE
CLASS(t_xcpot),INTENT(IN) :: xcpot
TYPE(t_stars),INTENT(IN) :: stars
TYPE(t_atoms),INTENT(IN) :: atoms
TYPE(t_sym),INTENT(IN) :: sym
TYPE(t_vacuum),INTENT(IN) :: vacuum
TYPE(t_input),INTENT(IN) :: input
TYPE(t_cell),INTENT(IN) :: cell
TYPE(t_oneD),INTENT(IN) :: oneD
TYPE(t_sphhar), INTENT(IN):: sphhar
TYPE(t_noco), INTENT(INOUT) :: noco
REAL, intent(in) :: is_inte(:,:), mt_inte(:,:)
REAL, INTENT(out) :: q(input%jspins), qis(input%jspins), qmt(atoms%ntype,input%jspins),&
qvac(2,input%jspins), qtot, qistot
......@@ -15,13 +30,13 @@ CONTAINS
INTEGER :: n
!allocate potden type
call integrad%init(stars, atoms, sphhar, vacuum, noco, input%jspins, POTDEN_TYPE_DEN)
call integrand%init(stars, atoms, sphhar, vacuum, noco, input%jspins, POTDEN_TYPE_DEN)
!put is in potden-basis
call pw_from_grid(xcpot, stars,.True., is_inte, integrand%pw, integrand%pw_w)
!put mt in potden-basis
do n = 1,atoms%ntype
call mt_from_grid(atoms,sphhar,nsp,n,input%jspins,mt_inte,integrad%mt(:,0:,n,:))
call mt_from_grid(atoms,sphhar,n,input%jspins,mt_inte,integrand%mt(:,0:,n,:))
enddo
! integrate my integrand
......
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