Commit 67e56e87 authored by Gregor Michalicek's avatar Gregor Michalicek

Small bugfix for density matrices in the cdn.hdf file

parent 212d8487
......@@ -2174,7 +2174,7 @@ MODULE m_cdnpot_io_hdf
INTEGER :: ntype,jmtd,nmzd,nmzxyd,nlhd,ng3,ng2
INTEGER :: nmz, nvac, od_nq2, nmzxy, n_u, i, j
INTEGER :: localDensityType
LOGICAL :: l_film, l_exist, l_mmpMatDimEquals
LOGICAL :: l_film, l_exist, l_mmpMatDimEquals, l_amf_Temp
INTEGER(HID_T) :: archiveID, groupID, groupBID, generalGroupID
INTEGER :: hdfError, fileFormatVersion
CHARACTER(LEN=30) :: groupName, groupBName, densityTypeName
......@@ -2370,7 +2370,9 @@ MODULE m_cdnpot_io_hdf
DO i = 1, n_u
IF (atoms%lda_u(i)%atomType.NE.ldau_AtomType(i)) l_mmpMatDimEquals = .FALSE.
IF (atoms%lda_u(i)%l.NE.ldau_l(i)) l_mmpMatDimEquals = .FALSE.
IF (atoms%lda_u(i)%l_amf.NE.ldau_l_amf(i)) l_mmpMatDimEquals = .FALSE. ! Am I sure about this? parameter change => dim change?
l_amf_Temp = .FALSE.
IF(ldau_l_amf(i).EQ.1) l_amf_Temp = .TRUE.
IF (atoms%lda_u(i)%l_amf.NEQV.l_amf_Temp) l_mmpMatDimEquals = .FALSE. ! Am I sure about this? parameter change => dim change?
IF (ABS(atoms%lda_u(i)%u-ldau_U(i)).GT.1.0e-10) l_mmpMatDimEquals = .FALSE. ! Am I sure about this? parameter change => dim change?
IF (ABS(atoms%lda_u(i)%j-ldau_J(i)).GT.1.0e-10) l_mmpMatDimEquals = .FALSE. ! Am I sure about this? parameter change => dim change?
END DO
......
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