[Wien] Optic with and without SO

[Xavier Rocquefelte]

I imagine that you have done a spin-polarized calculations. If so, you 
must sum the spin-up and spin-down contributions when you are doing the 
epsilon2 spectrum without SO.

Cheers

Xavier


Le 13/01/2017 à 19:06, Nacir GUECHI a écrit :
> Dear Professor Peter Blaha and Wien2k users.
> I calculated the optical properties of a compound without SO effect 
> then I recalculated it with SO effect. I found that the intensity of 
> peaks in the epsillon2 spectrum of the case with SO is practically 
> double than that of the case without So. My query: is this normal ? 
> which case we should take?
> /******************************************************
> *Nacir GUECHI*
> /
> /Dr. Physique de la matière solide./
> /Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa 
> <http://www.univ-medea.dz/fr/>,  Algeria (www.*univ-media*.dz)./
> /Laboratoire d'études des surfaces et interfaces des matériaux solides 
> (L.E.S.I.M.S), université Sétif1 (Algeria)/
> /http://laboratoires.univ-setif.dz/L.E.S.I.M.S//
>
>
> _______________________________________________
> Wien mailing list
> Wien at 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170113/3c7c6a7c/attachment.html>