diff --git a/bin/qp_convert_output_to_ezfio b/bin/qp_convert_output_to_ezfio index cbc81032..e050e9b9 100755 --- a/bin/qp_convert_output_to_ezfio +++ b/bin/qp_convert_output_to_ezfio @@ -89,6 +89,7 @@ def write_ezfio(res, filename): # W r i t e # # ~#~#~#~#~ # + ezfio.set_nuclei_is_complex(False) ezfio.set_nuclei_nucl_num(len(res.geometry)) ezfio.set_nuclei_nucl_charge(charge)