Dear Prof. Blaha, Please let me know why there is not a program for finding minimum of c/a or b/a ratio with Wien2k Package when we optimize c/a or b/a. eplot program can show curve of Energy Vs. c/a but it doesn't find minimum of c/a. Please guide me With best Mahdi
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
