Dear wien2k users, I am using wien2k version WIEN2k_12.1 (Release 22/7/2012) to make a case.struc file to do anti ferromagnetic calculation.
The compound I am strudying has magnetic ion Co with multiplicity 4 . What I have to do is to make Co ions inequivalent. But when I am doing so wien2k is not taking that structure and it is trying to go back to its normal one. But when I am using WIEN2k_07 version I am not getting this problem. Here it also told me to go back to its normal one but If I donot want that it accepts the new structure. Could any one please tell what to do in new version WIEN2k_12.1 to get the antiferromagnetic structure. I do antiferromagnetic calculation by making Co ions inequivalent in case.struc file. Thanks in advamce. Santu Baidya SRF, CMPMS SNBNCBS *"The happiest people do not always have the best of all,* * they simply appreciate what they find on their way!!!" SANTU *
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