Dear Karel Thanks 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 >> >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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