Dear Wien2k users, Could anyone please explain to me the role of spin in ELNES calculations? In particular, suppose I am trying to get ELNES of ferromagnetic or antiferromagnetic compounds consisting of two sublattices, one out of which is non-magnetic (CrN, in the initialisation phase I set up/dn spins on Cr, and no magnetic moment on N atoms). I am interested in both Cr L2,3 edge and N K edge.
Many thanks in advance for your help, David -- Dr. David Holec Dept. of Physical Metallurgy and Materials Testing Montanuniversität Leoben Franz-Josef-Strasse 18 A-8700 Leoben Austria tel. +43-(0)3842-4024211 fax. +43-(0)3842-4024202 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
