[Wien] What's the crystal structure of NaCl in antiferromagnetic calculation

[Abed Reg]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20141129/5c2a5044/attachment.html>