[Wien] how spin orbit interactions included in our wien2k code?

Laurence Marks L-marks at northwestern.edu
Thu Nov 20 15:02:21 CET 2014


Did you look at the notes in http://www.wien2k.at/reg_user/textbooks/  ,
particularly those by P. Novak?

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Nov 20, 2014 7:57 AM, "NARSIMHA RAO" <narsimha.elu at gmail.com> wrote:

>   Dear Prof.Pr. Blaha, Dear Wien2k users
>
>  I have few basic fallowing queries about the spin orbit interactions in
> wien2k.
>
>  I am trying to understand about "How spin orbit interactions or coupling
> effects were taken in to account in wien2k  code for calculating the band
> structure and optical properties with RLO's taken into consideration?" .
> Please give some information about What exactly happens In case of optical
> properties calculation without inclusion of RLO's in wien2k?  I could not
> able to found  papers which discussed the clear methodology. Please explain
> and  suggest some important references which will explain the evolution of
> Hamiltonian after including the spin orbit interactions with RLO's.
>
>  Thanking you in advance.
> --
>
>
> *With Warm Regards *
>
> *Elaprolu.Narsimha Rao, *
> *Research scholar,*
>
> *Advanced Centre of Research in High Energy Materials, *
>
> *University of Hyderabad,Andhra Pradesh,India,500046. *
>
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