[Pw_forum] (no subject)

Stefano Baroni baroni at sissa.it
Mon Oct 5 09:06:54 CEST 2009


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>


More information about the users mailing list