Commit 736e4f57 authored by Henning Janssen's avatar Henning Janssen

Small replacements and added missing switch

parent 9b186040
......@@ -34,6 +34,7 @@ MODULE m_calc_tria
!IF(.NOT.l_tria) CALL juDFT_warn("Triangles may not cover whol BZ",calledby="calc_tria")
input%gfTet = .TRUE.
!Write to types_kpts
kpts%ntria = ntria
ALLOCATE(kpts%itria(3,kpts%ntria))
......
......@@ -302,7 +302,7 @@ MODULE m_hubbard1_setup
IF (mpi%irank.EQ.0) THEN
DO ispin = 1,input%jspins
WRITE (6,'(a7,i3)') 'spin #',ispin
DO i_hia = atoms%n_u+1, atoms%n_u+atoms%n_hia
DO i_hia = indStart, indEnd
nType = atoms%lda_u(i_hia)%atomType
l = atoms%lda_u(i_hia)%l
WRITE (l_type,'(i2)') 2*(2*l+1)
......@@ -322,7 +322,7 @@ MODULE m_hubbard1_setup
ENDIF
ELSE IF(mpi%irank.NE.0) THEN
results%e_ldau = MERGE(results%e_ldau,0.0,atoms%n_u>0)
pot%mmpMat(:,:,atoms%n_u+1:atoms%n_hia+atoms%n_u,:) = CMPLX(0.0,0.0)
pot%mmpMat(:,:,indStart:indEnd,:) = CMPLX(0.0,0.0)
!If we are on a different mpi%irank and no solver is linked we need to call juDFT_end here if the solver was not run
!kind of a weird workaround (replace with something better)
IF(.NOT.l_linkedsolver) THEN
......@@ -339,7 +339,7 @@ MODULE m_hubbard1_setup
!occupation matrix is zero and LDA+Hubbard 1 shouldn't be run yet
!There is nothing to be done yet just set the potential correction to 0
WRITE(*,*) "No density matrix and GF found -> skipping LDA+HIA"
pot%mmpMat(:,:,atoms%n_u+1:atoms%n_hia+atoms%n_u,:) = CMPLX(0.0,0.0)
pot%mmpMat(:,:,indStart:indEnd,:) = CMPLX(0.0,0.0)
results%e_ldau = MERGE(results%e_ldau,0.0,atoms%n_u>0)
ENDIF
#ifdef CPP_MPI
......
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