Commit b3899adc authored by Frank Freimuth's avatar Frank Freimuth

Update wann_updown.F

parent 3665fc0a
......@@ -731,19 +731,39 @@ c****************************************************************
zzMat(jspin)%matsize1 = nbasfcn
zzMat(jspin)%matsize2 = neigd
IF(l_real) THEN
ALLOCATE (zzMat(jspin)%data_r(zzMat(jspin)%matsize1,
IF(.NOT.ALLOCATED(zzMat(jspin)%data_r))
& ALLOCATE (zzMat(jspin)%data_r(zzMat(jspin)%matsize1,
+ zzMat(jspin)%matsize2))
ELSE
ALLOCATE (zzMat(jspin)%data_c(zzMat(jspin)%matsize1,
IF(.NOT.ALLOCATED(zzMat(jspin)%data_c))
& ALLOCATE (zzMat(jspin)%data_c(zzMat(jspin)%matsize1,
+ zzMat(jspin)%matsize2))
END IF
CALL lapw%init(input,noco,kpts,atoms,sym,
& kptibz,cell,
& (sym%zrfs.AND.(SUM(ABS(kpts%bk(3,:kpts%nkpt))).LT.1e-9)
& .AND..NOT.noco%l_noco.and.mpi%n_size==1),mpi)
CALL cdn_read(
& eig_id,
& DIMENSION%nvd,input%jspins,mpi%irank,mpi%isize, !wannierspin instead of DIMENSION%jspd?
& kptibz,jspin,DIMENSION%nbasfcn,
& noco%l_ss,noco%l_noco,DIMENSION%neigd,n_start,n_end,
& nbands,eigg,zzMat)
! CALL cdn_read(
! > eig_id,
! > nvd,jspd,irank,isize,kptibz,jspin,nbasfcn,
! > l_ss,l_noco,neigd,n_start,n_end,
! < nmat,nv,ello,evdu,epar,
! < k1,k2,k3,bkpt,wk,nbands,eigg(:,jspin),zzMat(jspin))
call judft_error("cdn_read in wann_updown")
nrec=0
enddo !jspin
......@@ -790,10 +810,10 @@ c...we work only within the energy window
nslibd = nslibd + 1
eig(nslibd) = eigg(i,1)
if(l_noco)then
funbas=nv(1)+nlotot
funbas=funbas+nv(2)+nlotot
funbas=lapw%nv(1)+atoms%nlotot
funbas=funbas+lapw%nv(2)+atoms%nlotot
else
funbas=nv(jspin)+nlotot
funbas=lapw%nv(jspin)+atoms%nlotot
endif
IF (zzMat(jspin)%l_real) THEN
do j = 1,funbas
......
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