[Wien] Spin-polarization in ELNES calculations

[David Holec]

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