[Wien] Problem in making antiferromagnetic structure

[Santu Baidya]

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
*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130616/b1f5cd79/attachment.htm>