Commit 25f08f10 authored by Daniel Wortmann's avatar Daniel Wortmann

Fixes for Spin-spirals. Might help with issue #233.

parent a89cf6e1
...@@ -85,7 +85,7 @@ CONTAINS ...@@ -85,7 +85,7 @@ CONTAINS
!Vacuum contributions !Vacuum contributions
IF (input%film) THEN IF (input%film) THEN
CALL timestart("Vacuum part") CALL timestart("Vacuum part")
CALL hsvac(vacuum,stars,DIMENSION, atoms,mpi,isp,input,v,enpara%evac,cell,& CALL hsvac(vacuum,stars,DIMENSION,mpi,isp,input,v,enpara%evac,cell,&
lapw,sym, noco,hmat,smat) lapw,sym, noco,hmat,smat)
CALL timestop("Vacuum part") CALL timestop("Vacuum part")
ENDIF ENDIF
......
...@@ -112,13 +112,13 @@ CONTAINS ...@@ -112,13 +112,13 @@ CONTAINS
CALL hsmt_spinor(ispin,n,noco,chi) CALL hsmt_spinor(ispin,n,noco,chi)
DO iintsp=1,2 DO iintsp=1,2
DO jintsp=1,2 DO jintsp=1,2
CALL hsmt_sph(n,atoms,mpi,ispin,input,noco,iintsp,jintsp,chi(iintsp,jintsp),& CALL hsmt_sph(n,atoms,mpi,ispin,input,noco,iintsp,jintsp,chi(jintsp,iintsp),&
lapw,enpara%el0,td%e_shift(n,ispin),usdus,fj(:,0:,ispin,:),gj(:,0:,ispin,:),& lapw,enpara%el0,td%e_shift(n,ispin),usdus,fj(:,0:,ispin,:),gj(:,0:,ispin,:),&
smat(iintsp,jintsp),hmat(iintsp,jintsp)) smat(iintsp,jintsp),hmat(iintsp,jintsp))
CALL hsmt_nonsph(n,mpi,sym,atoms,ispin,iintsp,jintsp,chi(iintsp,jintsp),noco,cell,& CALL hsmt_nonsph(n,mpi,sym,atoms,ispin,iintsp,jintsp,chi(jintsp,iintsp),noco,cell,&
lapw,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),hmat(iintsp,jintsp)) lapw,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),hmat(iintsp,jintsp))
CALL hsmt_lo(input,atoms,sym,cell,mpi,noco,lapw,usdus,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),& CALL hsmt_lo(input,atoms,sym,cell,mpi,noco,lapw,usdus,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),&
n,chi(iintsp,jintsp),ispin,iintsp,jintsp,hmat(iintsp,jintsp),smat(iintsp,jintsp)) n,chi(jintsp,iintsp),ispin,iintsp,jintsp,hmat(iintsp,jintsp),smat(iintsp,jintsp))
ENDDO ENDDO
ENDDO ENDDO
ENDIF ENDIF
......
...@@ -11,7 +11,7 @@ CONTAINS ...@@ -11,7 +11,7 @@ CONTAINS
!Overlap matrix !Overlap matrix
!----------------------------------------------------------- !-----------------------------------------------------------
SUBROUTINE hsvac(& SUBROUTINE hsvac(&
vacuum,stars,DIMENSION, atoms,mpi,jsp,input,v,evac,cell,& vacuum,stars,DIMENSION, mpi,jsp,input,v,evac,cell,&
lapw,sym, noco,hmat,smat) lapw,sym, noco,hmat,smat)
...@@ -25,7 +25,6 @@ CONTAINS ...@@ -25,7 +25,6 @@ CONTAINS
TYPE(t_sym),INTENT(IN) :: sym TYPE(t_sym),INTENT(IN) :: sym
TYPE(t_stars),INTENT(IN) :: stars TYPE(t_stars),INTENT(IN) :: stars
TYPE(t_cell),INTENT(IN) :: cell TYPE(t_cell),INTENT(IN) :: cell
TYPE(t_atoms),INTENT(IN) :: atoms
TYPE(t_lapw),INTENT(IN) :: lapw TYPE(t_lapw),INTENT(IN) :: lapw
TYPE(t_mpi),INTENT(IN) :: mpi TYPE(t_mpi),INTENT(IN) :: mpi
TYPE(t_potden),INTENT(IN) :: v TYPE(t_potden),INTENT(IN) :: v
...@@ -58,6 +57,7 @@ CONTAINS ...@@ -58,6 +57,7 @@ CONTAINS
REAL uz(DIMENSION%nv2d,input%jspins) REAL uz(DIMENSION%nv2d,input%jspins)
! .. ! ..
d2 = SQRT(cell%omtil/cell%area) d2 = SQRT(cell%omtil/cell%area)
!---> set up mapping function from 3d-->2d lapws !---> set up mapping function from 3d-->2d lapws
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment