Dear Wien2k users To do the antiferromagnetic calculation for the bcc Cr, we use the P cubic structure with 2 atoms; and for the fcc Ni we use the P cubic structure with 4 atoms.
If we want to do a antiferromagnetic calculation for NaCl cubic structure with 2 atoms, what will be the structure in cubic system? Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie
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