[Pw_forum] shift of energy

[pari shok]

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
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