All right. I don't think it is a good idea to spam the mailing list with this, so let me continue the discussion privately. If anyone else's interested, please let me know and I will add him/her to the conversation.

The last thing to mention in an email addressed to the whole mailing list could be that the calculation I sent included both inter and intraband contributions and the latter were calculated using the plasma frequency (obtained from WIEN2k) and DC conductivity which allows the determination of the relaxation time. To me, this is the only "simple way" to proceed, the obvious shortcoming being the assumption that there's a single relaxation time for all bands involved in transport. This assumption is, to my belief, utterly unjustified and I'd like to improve on this someday. (Possibly, not for Cu but for some more interesting material.)

If anyone has any thoughts on these (relaxation times in metallic systems) and is willing to share them, I'd appreciate to know.

Karel




On Mon, 21 Mar 2016, sikander Azam wrote:

Dear KarelThanks sir for the comment, yes sir sure mostly I am working on
the optic sides, it will be great if share your comments on this. But i will
also want to know about the electronic structure, if possible.
Regards
SIkander

On Mon, Mar 21, 2016 at 2:26 AM, Karel Vyborny <vybor...@fzu.cz> wrote:
      Dear Sikander,
      it is not clear in what respect you are trying to compare WIEN2k
      to
      experiments.  Let me add to what Stefaan sent you another
      quantity: optical absorption. Attached is an example of the
      calculated imaginary part of epsilon to be compared with
      experimental data shown in Fig. 1 of PRB 11, 1315. The agreement
      is, to my taste, satisfactory but there are some clear
      differences too. If you are interested in this, I'd be happy to
      comment.

      Sincerely,

      Karel


      --- x ---
      dr. Karel Vyborny
      Fyzikalni ustav AV CR, v.v.i.
      Cukrovarnicka 10
      Praha 6, CZ-16253
      tel: +420220318459


      On Mon, 21 Mar 2016, sikander Azam wrote:

            Dear allI have a query about comparing my
            calculation using the WIEN2K code
            with experimental data. We are doing our
            calculations at absolute
            temperature and the experimentalist is doing his
            measurement at room
            temperature or above. Then how I compare my
            calculations with the
            experimental,.
            Regards
            SIkander  


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