<pre><font size="4">Dear Paolo,<br>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.<br>Would you please help me to understand this shift.<br>
Thanks again.<br>P Shok<br>UMD<br>On Apr 1, 2011, at 21:36 , pari shok wrote:<br><br>><i> The DOS of 72-atom SiC (supercell) shows a shift of energy.<br></i><br>a shift with respect to what?<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222</font><br></pre>