Dear Wien2k mailing list, I'm looking at some old saved calculations, where I don't have the dayfile (but I vaguely remember some convergence troubles). So I'm now looking at the scf file and wondering if it is possible to tell from the scf file, what was the final convergence of energy, charge and forces (and also what the convergence criteria passed to run_lapw were).
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
