Dear Sikander, it is not clear in what respect you are trying to compare WIEN2k toexperiments. 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
01-IMeps.pdf
Description: Adobe PDF document
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