[Wien] Problem in making antiferromagnetic structure

[Michael Sluydts]

Hello Santu,

Normally if you change the 'Co' in the struct to 'Co1', 'Co2',... it 
will not try to merge the positions again, are you doing this already?


Regards,

Michael Sluydts

Op 16/06/2013 10:21, Santu Baidya schreef:
> 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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