Dear Prof. Blaha and others, I am attempting to work backward from a Wien2k working directory to fully describe the simulation provenance. I have run into some trouble in attempting to extract the core/valence cuttoff value (default set to -6.0 Ry). I assume this should be recorded somewhere but I have had no luck finding it. Any direction would be appreciated.
Regards, Richard Taylor -- Richard Taylor, PhD National Institute of Standards and Technology Tel: (301) 975-5122 _______________________________________________ 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
