Commit 0f0329ab authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfix: IO of core charge

parent a14a5ef7
......@@ -656,9 +656,9 @@ MODULE m_cdn_io
TYPE(t_input),INTENT(IN) :: input
TYPE(t_dimension),INTENT(IN) :: DIMENSION
REAL, INTENT(OUT) :: rhcs(atoms%jmtd,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(OUT) :: tecs(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(OUT) :: qints(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(OUT) :: rhcs(:,:,:)!(atoms%jmtd,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(OUT) :: tecs(:,:)!(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(OUT) :: qints(:,:)!(atoms%ntype,DIMENSION%jspd)
INTEGER :: mode, iUnit, iSpin, iAtom, i
LOGICAL :: l_exist
......@@ -729,9 +729,9 @@ MODULE m_cdn_io
TYPE(t_input),INTENT(IN) :: input
TYPE(t_dimension),INTENT(IN) :: DIMENSION
REAL, INTENT(IN) :: rhcs(atoms%jmtd,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: tecs(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: qints(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: rhcs(:,:,:)!(atoms%jmtd,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: tecs(:,:)!(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: qints(:,:)!(atoms%ntype,DIMENSION%jspd)
INTEGER :: mode, iUnit, iSpin, iAtom, i
......
......@@ -2449,9 +2449,9 @@ MODULE m_cdnpot_io_hdf
TYPE(t_dimension),INTENT(IN) :: DIMENSION
INTEGER(HID_T), INTENT(IN) :: fileID
REAL, INTENT(IN) :: rhcs(atoms%jmtd,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: tecs(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: qints(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: rhcs(:,:,:)!(dimension%msh,atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: tecs(:,:)!(atoms%ntype,DIMENSION%jspd)
REAL, INTENT(IN) :: qints(:,:)!(atoms%ntype,DIMENSION%jspd)
INTEGER hdfError
INTEGER(HID_T) cdncGroupID, rhcsSpaceID, rhcsSetID
......@@ -2497,7 +2497,7 @@ MODULE m_cdnpot_io_hdf
CALL h5screate_simple_f(3,dims(:3),rhcsSpaceID,hdfError)
CALL h5dcreate_f(cdncGroupID, "rhcs", H5T_NATIVE_DOUBLE, rhcsSpaceID, rhcsSetID, hdfError)
CALL h5sclose_f(rhcsSpaceID,hdfError)
CALL io_write_real3(rhcsSetID,(/1,1,1/),dimsInt(:3),rhcs)
CALL io_write_real3(rhcsSetID,(/1,1,1/),dimsInt(:3),rhcs(:dimsInt(1),:dimsInt(2),:dimsInt(3))
CALL h5dclose_f(rhcsSetID, hdfError)
dims(:2)=(/atoms%ntype,DIMENSION%jspd/)
......
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