Commit 629dff6b authored by Frank Freimuth's avatar Frank Freimuth

Update wann_updown.F

parent 48d23a61
......@@ -567,7 +567,7 @@ c##################################################################
write (*,*) 'nwfs=',nwfs
allocate ( flo(ntypd,jmtd,2,nlod,2),alerr )
allocate ( flo(ntypd,jmtd,2,nlod,2),stat=alerr )
if (alerr /= 0) call juDFT_error('alerr: 25',
& calledby='wann_updown')
......@@ -831,7 +831,8 @@ c****************************************************************
zzMat(jspin)%l_real = l_real
zzMat(jspin)%matsize1 = nbasfcn
zzMat(jspin)%matsize2 = neigd
IF(.NOT.ALLOCATED(zzMat(jspin)%data_r))
IF(l_real) THEN
IF(.NOT.ALLOCATED(zzMat(jspin)%data_r))
& ALLOCATE (zzMat(jspin)%data_r(zzMat(jspin)%matsize1,
+ zzMat(jspin)%matsize2),stat=alerr )
if (alerr /= 0) call juDFT_error('alerr: 45',
......@@ -948,7 +949,7 @@ c***********************************************************
> l_noco,l_soc,
> ntype,neq,nlotot,
> jspin,
> oper,nop,mrot,nvd,nv,
> oper,nop,mrot,nvd,lapw%nv,
> shiftkpt(:,ikpt),
> tau,
x lapw%bkpt,lapw%k1(:,:),lapw%k2(:,:),lapw%k3(:,:),
......@@ -1181,10 +1182,10 @@ c$$$ enddo !i
addnoco2 = addnoco ! TODO: correct for addnoco2
call wann_mmkb_int(
> cmplx(1.,0.),addnoco,addnoco2,
> nvd,k1d,k2d,k3d,
> nvd,k1d,k2d,k3d,
> n3d,lapw%k1(:,jspin),lapw%k2(:,jspin),lapw%k3(:,jspin),
> nv(jspin),neigd,nbasfcn,zMat(1),nslibd,
> lapw%k1(:,jspin),lapw%k2(:,jspin),lapw%k3(:,jspin),
> lapw%nv(jspin),neigd,nbasfcn,zMat(1),nslibd,
> lapw%k1(:,jspin),lapw%k2(:,jspin),lapw%k3(:,jspin),
> lapw%nv(jspin),zMat(2),nslibd,
> nbnd,
> rgphs,ustep,ig,(/ 0,0,0 /),
......@@ -1323,7 +1324,7 @@ c******************************************************
deallocate(flo)
deallocate ( vr,vz,nv,k1,k2,k3 )
deallocate ( vr,vz )
deallocate ( ff,gg )
if (wann%l_bzsym) deallocate(irreduc,mapkoper)
......
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