[Wien] find the error in the XMCD

[Rocquefelte]

In a first step, did you look at this paper for Robert Laskowski and 
Peter Blaha?

http://publik.tuwien.ac.at/files/PubDat_188807.pdf

It could be a very good idea to first reproduce one of their results.

Then you will know if the procedure you apply is OK.

In particular, you will see their DFT results (that you can reproduce) 
and you will also see that BSE is needed to properly reproduce the L2/L3 
ratio.

Best Regards

Xavier



Le 11/3/2012 11:55 PM, mourad boujnah a écrit :
> Dear WIEN2k users and developers,
> I followed the procedure to install the version 12.1 of Wien2k code it 
> works very good . but when i start to compute the optical properties 
> of ZnTe doped with transitions element (XMCD) i just validate 
> some theoretical result, i find in ZnTe doped with Cr and Ti a value 
> 684 eV (L23-edges) but in the literature it's 576 eV for Cr, could you 
> help me to find the error ?
>
> With the best regards
>
> -- 
> Mourad BOUJNAH
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Tel: _+212 __677316706_
> Email: _boujnah.mourad at gmail.com <mailto:boujnah.mourad at gmail.com>_
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121104/4f034434/attachment.htm>