[Wien] How to compute the nonlinear optical susceptibility tensor by WIEN2k10?

[Peter Blaha]

It is a non-supported option.
The code is from C.Ambrosch-Draxl.

conghj schrieb:
> Thank you for your advice!
> 
> But I am still very much puzzled as to why there are so many jobs 
> concerning the calculation of nonlinear optical properties in the 
> on-line paper database. Could someone show me how these were done? 
> Thanks once again!
> 
> 
>  
> H.J. Cong
> Institute of Crystal Materials
> Shandong University
> Jinan,Shandong Province,P.R. China
> 250100
> 
> 
> ------------------------------------------------------------------------
> *From:* "tyagi at barc.gov.in" <tyagi at barc.gov.in>
> *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Sent:* Fri, August 27, 2010 7:57:00 PM
> *Subject:* Re: [Wien] How to compute the nonlinear optical 
> susceptibility tensor by WIEN2k10?
> 
>  >
> I dont think that this option is inbuilt in wien2k. You may go for ABINIT,
> though i have not used  and still looking for some guidance.
> 
> Regards
> Mohit Tyagi
> 
> 
> Dear all,
>  >
>  > Could anyone kindly tell me how to compute the nonlinear optical
>  > susceptibility
>  > tensor by WIEN2k10? Thank you very much!
>  >
>  > H.J. Cong
>  >
>  > Institute of Crystal Materials
>  > Shandong University
>  > Jinan,Shandong Province,P.R. China
>  > 250100
>  >
>  >
>  >
>  >      _______________________________________________
>  > Wien mailing list
>  > Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
>>  http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>  >
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------