Commit 6ddaa944 authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfix for test 25/26. Use correct spin-index in cdnmt

parent d5508ab6
......@@ -906,7 +906,7 @@ CONTAINS
dimension%jspd,atoms,sphhar,llpd,&
noco,l_fmpl,jsp_start,jsp_end,&
enpara%el0,enpara%ello0,vTot%mt(:,0,:,:),uu,du,dd,uunmt,udnmt,dunmt,ddnmt,&
usdus,usdus%uloulopn,aclo,bclo,cclo,acnmt,bcnmt,ccnmt,&
usdus,aclo,bclo,cclo,acnmt,bcnmt,ccnmt,&
orb,mt21,lo21,uloulopn21,uloulop21,&
uunmt21,ddnmt21,udnmt21,dunmt21,&
chmom,clmom,&
......
......@@ -11,7 +11,7 @@ MODULE m_cdnmt
!***********************************************************************
CONTAINS
SUBROUTINE cdnmt(jspd,atoms,sphhar,llpd, noco,l_fmpl,jsp_start,jsp_end, epar,&
ello,vr,uu,du,dd,uunmt,udnmt,dunmt,ddnmt, usdus,uloulopn,aclo,bclo,cclo,&
ello,vr,uu,du,dd,uunmt,udnmt,dunmt,ddnmt, usdus,aclo,bclo,cclo,&
acnmt,bcnmt,ccnmt,orb,mt21,lo21,uloulopn21,uloulop21, uunmt21,&
ddnmt21,udnmt21,dunmt21, chmom,clmom, qa21,rho)
use m_constants,only: sfp_const
......@@ -35,7 +35,6 @@ CONTAINS
REAL, INTENT (IN) :: epar(0:atoms%lmaxd,atoms%ntype,jspd)
REAL, INTENT (IN) :: vr(atoms%jmtd,atoms%ntype,jspd)
REAL, INTENT (IN) :: ello(atoms%nlod,atoms%ntype,jspd)
REAL, INTENT (IN) :: uloulopn(atoms%nlod,atoms%nlod,atoms%ntype,jsp_start:jsp_end)
REAL, INTENT (IN) :: aclo(atoms%nlod,atoms%ntype,jsp_start:jsp_end)
REAL, INTENT (IN) :: bclo(atoms%nlod,atoms%ntype,jsp_start:jsp_end)
REAL, INTENT (IN) :: cclo(atoms%nlod,atoms%nlod,atoms%ntype,jsp_start:jsp_end)
......@@ -90,7 +89,7 @@ CONTAINS
!$OMP PARALLEL DEFAULT(none) &
!$OMP SHARED(usdus,rho,chmom,clmom,qa21,rho21,qmtl) &
!$OMP SHARED(atoms,jsp_start,jsp_end,epar,vr,uu,dd,du,sphhar,uloulopn,ello,aclo,bclo,cclo) &
!$OMP SHARED(atoms,jsp_start,jsp_end,epar,vr,uu,dd,du,sphhar,ello,aclo,bclo,cclo) &
!$OMP SHARED(acnmt,bcnmt,ccnmt,orb,ddnmt,udnmt,dunmt,uunmt,mt21,lo21,uloulop21)&
!$OMP SHARED(uloulopn21,noco,l_fmpl,uunmt21,ddnmt21,dunmt21,udnmt21,jspd)&
!$OMP PRIVATE(itype,na,ispin,l,f,g,nodeu,noded,wronk,i,j,s,qmtllo,qmtt,nd,lh,lp,llp,cs)
......@@ -130,7 +129,7 @@ CONTAINS
END DO
CALL rhosphnlo(itype,atoms,sphhar,&
uloulopn(1,1,itype,ispin),usdus%dulon(1,itype,ispin),&
usdus%uloulopn(1,1,itype,ispin),usdus%dulon(1,itype,ispin),&
usdus%uulon(1,itype,ispin),ello(1,itype,ispin),&
vr(1,itype,ispin),aclo(1,itype,ispin),bclo(1,itype,ispin),&
cclo(1,1,itype,ispin),acnmt(0,1,1,itype,ispin),&
......@@ -153,7 +152,7 @@ CONTAINS
IF (noco%l_soc) THEN
CALL orbmom2(atoms,itype,ispin,usdus%ddn(0,itype,ispin),&
orb,usdus%uulon(1,itype,ispin),usdus%dulon(1,itype,ispin),&
uloulopn(1,1,itype,ispin),clmom(1,itype,ispin))!keep
usdus%uloulopn(1,1,itype,ispin),clmom(1,itype,ispin))!keep
ENDIF
!-soc
!---> non-spherical components
......
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