[Pw_forum] how to get fermi energy for semiconductor in pwscf calculation

[Stefano Baroni]

I do not know what plotband uses the Fermi energy for, but have you tried to just give any energy within the gap? (which you have) Probably any other value would also do, but just a little trial-and-error has never harmed anybody ... 
Also, it would be nice if you were to uveil your identity, affiliatio, etc. when posting to this mailing list.
Regards - SB

On Jun 10, 2011, at 7:31 AM, bamidele ibrahim wrote:

> dear all,
> 
>  I am working on some semiconductor materials, i want to plot there band structure. After running the scf,nscf and band calculations. To plot the band structure, i was asked by the plotband.x to input the value of fermi energy which i don't have. Please, kindly assist me with this problem if anybody have an idea of what to do. 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110610/99827e7a/attachment.html>