Dear Wien2k Users, I am performing volume optimization of orthorhombic structure. There are three steps to perform optimization: 1. b/a optimization 2. c/a optimization 3. volume optimization. I performed b/a optimization keeping c/a and volume constant. Now what is the next steps for c/a optimization and volume optimization.
Thanks, Ajay
_______________________________________________ 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