Commit ec7b7eee authored by Gregor Michalicek's avatar Gregor Michalicek

Add supercell size output to banddos.hdf

parent 56650ede
......@@ -246,6 +246,7 @@ MODULE m_banddos_io
INTEGER(HID_T) :: jsymSpaceID, jsymSetID
INTEGER(HID_T) :: ksymSpaceID, ksymSetID
INTEGER(HID_T) :: bUWeightsSpaceID, bUWeightsSetID
INTEGER(HID_T) :: supercellSpaceID, supercellSetID
INTEGER :: hdfError, dimsInt(7)
......@@ -303,6 +304,14 @@ MODULE m_banddos_io
IF (banddos%unfoldband) THEN
CALL h5gcreate_f(fileID, '/bandUnfolding', bandUnfoldingGroupID, hdfError)
dims(:1)=(/3/)
dimsInt = dims
CALL h5screate_simple_f(1,dims(:1),supercellSpaceID,hdfError)
CALL h5dcreate_f(bandUnfoldingGroupID, "supercell", H5T_NATIVE_INTEGER, supercellSpaceID, supercellSetID, hdfError)
CALL h5sclose_f(supercellSpaceID,hdfError)
CALL io_write_integer1(supercellSetID,(/1/),dimsInt(:1),(/banddos%s_cell_x,banddos%s_cell_y,banddos%s_cell_z/))
CALL h5dclose_f(supercellSetID, hdfError)
dims(:3)=(/neigd,kpts%nkpt,input%jspins/)
dimsInt = dims
CALL h5screate_simple_f(3,dims(:3),bUWeightsSpaceID,hdfError)
......
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