I'm sorry I made a typo in the last message . I mean the command : run_kgenhf_lapw -redklist and not run_kgenhf_lapw -hf -redklist -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230621/576263bd/attachment.htm>