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<div class="moz-cite-prefix">Hello Santu,<br>
<br>
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?<br>
<br>
<br>
Regards,<br>
<br>
Michael Sluydts<br>
<br>
Op 16/06/2013 10:21, Santu Baidya schreef:<br>
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<div>Dear wien2k users,<br>
<br>
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I am using wien2k version WIEN2k_12.1 (Release
22/7/2012) to make a case.struc file to do anti
ferromagnetic calculation.<br>
<br>
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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.<br>
<br>
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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.<br>
<br>
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Could any one please tell what to do in new version
WIEN2k_12.1 to get the antiferromagnetic structure.<br>
<br>
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I do antiferromagnetic calculation by making Co ions
inequivalent in case.struc file.<br>
<br>
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Thanks in advamce.<br>
<br>
</div>
Santu Baidya<br>
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SRF, CMPMS<br>
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SNBNCBS<br>
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<b>"The happiest people do not always have
the best of
all,</b>
<b> they simply appreciate what they find
on
their way!!!" SANTU<br>
</b>
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