Dear Wien2k users, We want to do a calculation on [A][B]O4 type ferrimagnetic material where [A] & [B] are two sublattices having opposite spin orientations. Now my question is:
Whether we can do this calculation by modifying case.inst file accordingly (making [A] and [B] spin opposite) and choosing *ferromagnetic calculation*? OR We have to go for *antiferromagnetic calculation* and then we should modify the case.inst file accordingly? Any response in this regard will be very helpful for us. with besr regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110719/090679b8/attachment.htm>