Dear Paolo, DOS of 72-atom SiC shows a shift of energy with respect to 8-atom SiC.The bandgap of 8-atoms is around 10-12 eV, but that of 72-atom is around 5-7 eV. Would you please help me to understand this shift. Thanks again. P Shok UMD On Apr 1, 2011, at 21:36 , pari shok wrote:
>* The DOS of 72-atom SiC (supercell) shows a shift of energy. * a shift with respect to what? --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110402/8b90226e/attachment.htm
