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

NARSIMHA RAO narsimha.elu at gmail.com
Thu Nov 20 14:56:22 CET 2014


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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