Laurence Marks píše v Čt 07. 12. 2017 v 05:25 -0600: > I suggest using the "Check" command, which shows more useful > information and post the output. Without that it is hard to guess. > Dear prof. Marks,
I'm not sure if I follow. Are you referring to the check (check_lapw) script? In my understanding it checks for running Wien2k instances, which are none in my case. Did you mean maybe analyse_lapw or some other check script which is not part of the default Wien2k installation? I can extract some data from the scf file by hand, if you let me know what info would be helpful in this case. Best regards Pavel _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
