[Wien] k-points for optic

[Torsten Andersen]

Well, that is a matter of convergence.

That is, you take a number of k-points, calculate the optics, then take 
a larger number of k-points (e.g., 50% more), calculate the optics, and 
so on and so forth until two consecutive calculations give the "same" 
result, i.e., when they can not be distinguished in a plot.

Best regards,
Torsten Andersen.

shokoufe khosravi wrote:
> Dear All Users And Developers
> 
> I am a new user of wien2k code and I am working with
> OPTIC package.
> I know that for calculation of optical properties we
> should use large k-points but I don't know how I can
> find optimum k-point for this goal.
> Any comments will be appreciated.
> Best regards.
>   
> 
> 
> 		
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/