[Wien] optics code

[Hongming Weng]

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!

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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