[Pw_forum] Fermi energy shift

[meysam pazoki]

Dear Quantum Espresso users

I have a question about shifting the fermi energy of  semiconductors.
After adsorbtion of oxygen atoms on the surface of ZnO slab,the calculated
fermi energy was shifted.
My question is that "Can i trust on this shift of fermi energy or i should
consider the shift of local orbital DOS relative to fermi energi?"
We know that DFT results for semiconductor gaps is wrong ,can i use DFT for
this discussions or i should use GW?

Thanks alot for your help

Best Regards
meysam pazoki
Ph.D student of physics
SUT
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110210/0b23e55b/attachment.html>