Re: [Wien] Comparison between wien2k calculated and experimental

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

Re: [Wien] Comparison between wien2k calculated and experimental

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

Re: [Wien] Comparison between wien2k calculated and experimental

Dear Stefaan Thanks a lot sir. Regards SIkander On Mon, Mar 21, 2016 at 1:53 AM, Stefaan Cottenier < stefaan.cotten...@ugent.be> wrote: > > I have a query about comparing my calculation using the WIEN2K code with >> experimental data. We are doing our calculations at absolute temperature >> and

Re: [Wien] Comparison between wien2k calculated and experimental

I 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,. The

[Wien] Comparison between wien2k calculated and experimental

Dear all I 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,.