Commit a5468ca4 authored by Frank Freimuth's avatar Frank Freimuth

Update wann_plot_um_dat.F

parent 651b0ebd
......@@ -527,29 +527,53 @@ c******************************************************************
allocate (we(neigd),eigg(neigd))
zzMat%l_real = l_real
zzMat%matsize1 = nbasfcn
zzMat%matsize2 = neigd
IF(l_real) THEN
ALLOCATE (zzMat%data_r(zzMat%matsize1,zzMat%matsize2))
ELSE
ALLOCATE (zzMat%data_c(zzMat%matsize1,zzMat%matsize2))
END IF
CALL judft_error("TODO:adjust in wann_plot_um_dat")
! zzMat%l_real = l_real
! zzMat%matsize1 = nbasfcn
! zzMat%matsize2 = neigd
! IF(l_real) THEN
! ALLOCATE (zzMat%data_r(zzMat%matsize1,zzMat%matsize2))
! ELSE
! ALLOCATE (zzMat%data_c(zzMat%matsize1,zzMat%matsize2))
! END IF
! CALL judft_error("TODO:adjust in wann_plot_um_dat")
! call wann_read_eig(eig_id, lmaxd,ntypd,nlod,neigd,nvd,wannierspin,
! > irank,isize,kptibz,jspin,nbasfcn,nlotot, l_ss,l_noco,nrec,
! < nmat,nv, k1,k2,k3,bkpt,wk,nbands,eigg,zzMat, .false.,1)
zMat%l_real = zzMat%l_real
zMat%matsize1 = zzMat%matsize1
zMat%matsize2 = zzMat%matsize2
IF (zzMat%l_real) THEN
ALLOCATE (zMat%data_r(zMat%matsize1,zMat%matsize2))
zMat%data_r = 0.0
ELSE
ALLOCATE (zMat%data_c(zMat%matsize1,zMat%matsize2))
zMat%data_c = CMPLX(0.0,0.0)
END IF
! zMat%l_real = zzMat%l_real
! zMat%matsize1 = zzMat%matsize1
! zMat%matsize2 = zzMat%matsize2
! IF (zzMat%l_real) THEN
! ALLOCATE (zMat%data_r(zMat%matsize1,zMat%matsize2))
! zMat%data_r = 0.0
! ELSE
! ALLOCATE (zMat%data_c(zMat%matsize1,zMat%matsize2))
! zMat%data_c = CMPLX(0.0,0.0)
! END IF
n_start=1
n_end=input%neig
CALL lapw%init(input,noco,nococonv,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)
nbasfcn = MERGE(lapw%nv(1)+lapw%nv(2)+2*atoms%nlotot,
& lapw%nv(1)+atoms%nlotot,noco%l_noco)
CALL zzMat%init(l_real,nbasfcn,input%neig)
CALL zMat%init(l_real,nbasfcn,input%neig)
CALL cdn_read(
& eig_id,
& lapw%dim_nvd(),input%jspins,mpi%irank,mpi%isize,
& kptibz,jspin,lapw%dim_nbasfcn(),
& noco%l_ss,noco%l_noco,input%neig,n_start,n_end,
& nbands,eigg,zzMat)
nslibd = 0
......
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