[Pw_forum] (no subject)

[Stefano Baroni]

Dear Sun (please provide your affiliation).
IR spectra can be obtained from the Born effective charges which are  
calculated by the phonon code.
SB

On Oct 5, 2009, at 3:44 AM, shoutian sun wrote:

> Dear all,
>
> I want to calculate IR spectra(without external electronic field),  
> should I have to set:  tefield = .TRUE. ?
> Or could anyone tell me how to use cp.x to calculate IR? And which  
> paprameters should I have to
> care about?
>
> Thank you in advance,
> SUN ST
>
>
>
> 好玩贺卡等你发，邮箱贺卡全新上线！ 
> _______________________________________________
> 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/20091005/3f40c059/attachment.html>