Commit 4402c4f1 authored by Daniel Wortmann's avatar Daniel Wortmann

Small bugfixes

parent e4921cb5
......@@ -179,7 +179,7 @@ SUBROUTINE cdnval(eig_id, mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,st
CALL lapw%init(input,noco, kpts,atoms,sym,ikpt,cell,.false., mpi)
skip_t = skip_tt
ev_list=cdnvaljob%compact_ev_list(ikpt_i,.not.banddos%dos)
ev_list=cdnvaljob%compact_ev_list(ikpt_i,banddos%dos)
noccbd = SIZE(ev_list)
we = cdnvalJob%weights(ev_list,ikpt)
eig = results%eig(ev_list,ikpt,jsp)
......
......@@ -186,13 +186,13 @@ CONTAINS
ALLOCATE(tmp_real(MIN(SIZE(eig),d%size_eig)))
IF (PRESENT(eig)) THEN
CALL MPI_WIN_LOCK(MPI_LOCK_SHARED,pe,0,d%eig_handle,e)
CALL MPI_GET(tmp_real,SIZE(tmp_real),MPI_DOUBLE_PRECISION,pe,slot,d%size_eig,MPI_DOUBLE_PRECISION,d%eig_handle,e)
CALL MPI_GET(tmp_real,SIZE(tmp_real),MPI_DOUBLE_PRECISION,pe,slot,size(tmp_real),MPI_DOUBLE_PRECISION,d%eig_handle,e)
CALL MPI_WIN_UNLOCK(pe,d%eig_handle,e)
eig(:size(tmp_real))=tmp_real
END IF
IF (PRESENT(w_iks)) THEN
CALL MPI_WIN_LOCK(MPI_LOCK_SHARED,pe,0,d%w_iks_handle,e)
CALL MPI_GET(tmp_real,size(tmp_real),MPI_DOUBLE_PRECISION,pe,slot,d%size_eig,MPI_DOUBLE_PRECISION,d%w_iks_handle,e)
CALL MPI_GET(tmp_real,size(tmp_real),MPI_DOUBLE_PRECISION,pe,slot,size(tmp_real),MPI_DOUBLE_PRECISION,d%w_iks_handle,e)
CALL MPI_WIN_UNLOCK(pe,d%w_iks_handle,e)
w_iks(:SIZE(tmp_real))=tmp_real
END IF
......
......@@ -504,7 +504,7 @@ SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,noco,results,jspin)
DO ikpt_i=1,SIZE(thiscdnvalJob%k_list)
ikpt=thiscdnvalJob%k_list(ikpt_i)
!---> if slice, only certain bands are taken into account
IF (sliceplot%slice.AND.input%pallst) thisCdnvalJob%weights(:,ikpt) = kpts%wtkpt(ikpt)
IF (sliceplot%slice.AND.input%pallst) thisCdnvalJob%weights(:,ikpt) = kpts%wtkpt(ikpt)*2.0/input%jspins
IF (sliceplot%slice.AND.thisCdnvalJob%noccbd(ikpt).GT.0) THEN
IF (sliceplot%kk.EQ.0) THEN
DO iband_i=1,thisCdnvalJob%noccbd(ikpt)
......
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