A fishing (not phishing) question. Has anyone interfaced a rough atomic structure minimizer or a force matrix code with Wien2k struct files? I am looking for something "simple", portable, and which might either be a contributed code or even become part of the mixer.
If you have something, please email me directly. There is a use for something like this to accellerate MSR1a. -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120515/1c8b8244/attachment-0001.htm>
