[Wien] optics code

[Claudia Ambrosch-Draxl]

Dear Whoming,

Hongming Weng wrote:
> Dear Claudia Ambrosch-Draxl,
> 
>         Thank you very much for this good and detailed paper on optical 
> package in WIEN2K.
> Would you please tell me whethere the Kramers-Kronig relations is the 
> same or not when the
> time-reversal symmetry is kept or broken? I have read the code in 
> SRC_kram, it seems that
> the K-K relation is the same when doing non-spin-orbital calculation as 
> when taking account
> into spin-orbital coupling.
>         Thank you very much!

Yes, the KK relations are the same.

Best,
Claudia

> 
> Yours,
> Whoming
>         
> ----- Original Message -----
> From: "Claudia Ambrosch-Draxl" <claudia.ambrosch at uni-graz.at>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Friday, March 05, 2004 10:28 PM
> Subject: [Wien] optics code
> 
> 
>  > Dear WIEN users,
>  >
>  > I would like to let you know that we have submitted
>  > a detailed publication about the formalism of the optical
>  > properties within the LAPW method as it is implemented
>  > in the WIEN2k code. It contains a summary of the theory
>  > behind, the formulas corresponding to the (L)APW basis,
>  > and some examples for simple metals including symmetry
>  > considerations and convergence test. You find the
>  > manuscript on the condmat server, i.e. cond-mat/0402523.
>  > Please, refer to this paper when you publish your results
>  > done within the optics package of WIEN.
>  >
>  > Best regards,
>  > Claudia Ambrosch-Draxl
>  >
>  > Institut f. Theoretische Physik, University Graz
>  > Universitätsplatz 5, A-8010 Graz
>  > Tel. [43] (316) 380-5235    Fax [43] (316) 380-9820
>  > http://physik.uni-graz.at/~cad
>  >
>  >
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> 
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> 


-- 
Claudia Ambrosch-Draxl
Institut f. Theoretische Physik, University Graz
Universitätsplatz 5, A-8010 Graz
Tel. [43] (316) 380-5235    Fax [43] (316) 380-9820
http://physik.uni-graz.at/~cad