Thanks again Pr Stephan for the rich information Now , I understand the origins of the tetragonal and the orthorombic distortions for the cubic structure of Chromium Cr.
I know how to add the spin-orbit coupling in the wien2k code to get the tertragonal structure , but I don't know how to take the spin-density wave in account . Would you explain to me how to do that the little thing will be fruitfull Best regards Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html

