Commit 91df57eb authored by Daniel Wortmann's avatar Daniel Wortmann

Modified CPP_HDF in writeBasis

parent 4543f0e1
......@@ -36,15 +36,17 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION)
TYPE (t_usdus) :: usdus
TYPE(t_lapw) :: lapw
INTEGER(HID_T) :: fileID
#ifdef CPP_HDF
LOGICAL :: l_exist
CHARACTER(LEN=30) :: filename
CHARACTER(LEN=30) :: kpt_name
CHARACTER(LEN=30) :: jsp_name
CHARACTER(LEN=30) :: itype_name
! CHARACTER(LEN=30) :: l_name
INTEGER(HID_T) :: fileID
INTEGER(HID_T) :: metaGroupID
INTEGER(HID_T) :: generalGroupID
INTEGER(HID_T) :: cellGroupID
......@@ -70,6 +72,7 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION)
INTEGER(HID_T) :: kptWeightSpaceID, kptWeightSetID
! INTEGER(HID_T) :: kptSPLabelsSpaceID, kptSPLabelsSetID
! INTEGER(HID_T) :: kptsSPIndicesSpaceID, kptsSPIndicesSetID
INTEGER(HSIZE_T) :: dims(7)
INTEGER :: j, iAtom
! INTEGER :: noded, nodeu
......@@ -83,7 +86,6 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION)
INTEGER :: atomicNumbers(atoms%nat)
INTEGER :: equivAtomsGroup(atoms%nat)
INTEGER(HSIZE_T) :: dims(7)
! REAL :: wronk
......@@ -103,7 +105,6 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION)
ALLOCATE (flo(atoms%jmtd,2,atoms%nlod))
#ifdef CPP_HDF
l_real=sym%invs.AND..NOT.noco%l_noco
! check if z-reflection trick can be used
......
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