Dear Wien2k users, I was keen to know if somebody has experience in doing FSM calculations for heavy elements (runsfm_lapw)
Since it is mentioned in UG, -so interaction is not supported, how do we carry out a total energy calculation (-so contribution around 1.2-1.5 Ry per atom in heavy elements) for heavy elements at various volume changes for a fixed spin moment. Thanks and regards Suddhasattwa -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120503/4e28e855/attachment.htm>
