Commit 885e3f2d authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfixes, passes tests on workstation.

parent 66edbef4
......@@ -113,8 +113,7 @@ SUBROUTINE initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
ALLOCATE(atoms%numStatesProvided(atoms%ntype))
ALLOCATE(atoms%rmsh(atoms%jmtd,atoms%ntype))
ALLOCATE(atoms%volmts(atoms%ntype))
ALLOCATE(atoms%vr0(atoms%ntype)) ! This should actually not be in the atoms type!
ALLOCATE(atoms%ncv(atoms%ntype))
ALLOCATE(atoms%ngopr(atoms%nat))
ALLOCATE(atoms%lapw_l(atoms%ntype))
......@@ -199,7 +198,6 @@ SUBROUTINE initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
atoms%icorr = -99
oneD%odd%nq2 = oneD%odd%n2d
atoms%vr0(:) = 0.0
results%force(:,:,:) = 0.0
stars%sk2(:) = 0.0
stars%phi2(:) = 0.0
......
......@@ -35,7 +35,7 @@ CONTAINS
!Copy pw_w into pw if present and rescale with number of stars
IF (ALLOCATED(vtot%pw_w)) THEN
IF (.NOT.noco%l_noco.AND.ALLOCATED(vtot%pw_w)) THEN
DO js=1,SIZE(vtot%pw_w,2)
DO i=1,stars%ng3
vTot%pw(i,js)=vtot%pw_w(i,js)/stars%nstr(i)
......
......@@ -138,7 +138,7 @@ CONTAINS
ELSE ! GGA
CALL visxcg(ifftd,stars,sym,ifftxc3d,cell,workDen,xcpot,input,&
CALL visxcg(ifftd,stars,sym,ifftxc3d,cell,den,xcpot,input,&
obsolete,noco,vTot,vx,exc)
END IF
......
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