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Ab initio Calculations Using Wien2k Code

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[Wien] Why the antiferromagnetic structure of Cr is still cubic

Dear wien2k users

I have read that the antiferromagnetic ordering is accompanied with a
little structural distortion as in the case of NiO. This latter is
characterized by a distortion from NaCl to rhomboherdral structure; but for
the chromide Cr the structure is still cubic when there is a magnetic
transition from paramagnetic to antiferromagnetic state.
Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie


Answers in the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14396.html


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