Dear Wien2k users, If we are doing a supercell calculation for a partially ordered phase or an alloy ( we consider that it is not an impurity calculation), then how do we break the symmetry in such a case in Wien2k?
Any suggestions would be useful. Suddhasattwa -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100126/50f20013/attachment.htm>
