diff --git a/python/sumk_dft_tools.py b/python/sumk_dft_tools.py index c394c185..9d369b2a 100644 --- a/python/sumk_dft_tools.py +++ b/python/sumk_dft_tools.py @@ -611,6 +611,9 @@ class SumkDFTTools(SumkDFT): if mpi.is_master_node(): ar = HDFArchive(self.hdf_file, 'r') if not (self.transp_data in ar): raise IOError, "transport_distribution: No %s subgroup in hdf file found! Call convert_transp_input first." %self.transp_data + # check if outputs file was converted + if not ('n_symmetries' in ar['dft_misc_input']): raise IOError, "transport_distribution: n_symmetries missing. Check if case.outputs file is present and call convert_misc_input() or convert_dft_input()." + self.read_transport_input_from_hdf() if mpi.is_master_node():