[Wien] spin polarization of valence states

Oleg Artamonov arto at mail.nnz.ru
Thu Dec 6 15:05:37 CET 2007


Dear Wien users,

Can anybody answer my question. I want to get information about the spin-polarization of the valence states. One can expect in the case of tungsten the significant energy shift between spin-up and spin-down particular states. How is it possible to extract the spin polarization state from the result of calculations with the spin-orbit interaction taken into account?. I use Wien2k_7. 
Thanks,
            Oleg Artamonov.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20071206/d22705fb/attachment.html


More information about the Wien mailing list