Commit 89595eb9 authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of fleur-git:fleur into develop

parents d7ab183b 9c877fa3
......@@ -95,7 +95,7 @@ CONTAINS
IF ( noco%l_noco .AND. (n_size.GT.1) ) THEN
!---> for EV-parallelization & noco ( see comments at top )
lapw%nv_tot = lapw%nv(1) + lapw%nv(2)
IF (noco%l_ss) CALL juDFT_error("ev-|| & spin-spiral !",calledby ="hssphn")
IF (noco%l_ss) CALL juDFT_error("ev-parallelization & spin-spiral !",calledby ="hsmt_overlap")
ELSE
lapw%nv_tot = lapw%nv(iintsp)
ENDIF
......
......@@ -199,7 +199,7 @@ CONTAINS
IF ( noco%l_noco .AND. (n_size.GT.1) ) THEN
!---> for EV-parallelization & noco ( see comments at top )
lapw%nv_tot = lapw%nv(1) + lapw%nv(2)
IF (noco%l_ss) CALL juDFT_error("ev-|| & spin-spiral !",calledby ="hssphn")
IF (noco%l_ss) CALL juDFT_error("ev-parallelization & spin-spiral !",calledby ="hsmt_sph")
ELSE
lapw%nv_tot = lapw%nv(iintsp)
ENDIF
......
......@@ -81,6 +81,7 @@ SUBROUTINE initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
CALL MPI_BCAST(dimension%neigd,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(dimension%nv2d,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(dimension%msh,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(dimension%nspd,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(kpts%numSpecialPoints,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(kpts%nkpt,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(kpts%nkpt,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
......@@ -92,6 +93,7 @@ SUBROUTINE initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
CALL MPI_BCAST(vacuum%nmzd,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%k3,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%M,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%mb,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%n2d,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%nop,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
CALL MPI_BCAST(oneD%odd%nn2d,1,MPI_INTEGER,0,mpi%mpi_comm,ierr)
......
......@@ -2147,6 +2147,7 @@ SUBROUTINE r_inpXML(&
oneD%odd%k3 = 0
oneD%odd%M = 0
oneD%odd%nn2d = 1
oneD%odd%mb = 0
END IF
ALLOCATE (stars%ig(-stars%mx1:stars%mx1,-stars%mx2:stars%mx2,-stars%mx3:stars%mx3))
ALLOCATE (stars%ig2(stars%ng3))
......
......@@ -191,6 +191,7 @@
oneD%odd%nn2d = (2*(oneD%odd%k3) + 1)*(2*(oneD%odd%M) + 1)
ELSE
oneD%odd%k3 = 0 ; oneD%odd%M =0 ; oneD%odd%nn2d = 1
oneD%odd%mb = 0
ENDIF
!-odim
ALLOCATE ( atoms%nz(atoms%ntype),atoms%relax(3,atoms%ntype),atoms%nlhtyp(atoms%ntype))
......
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