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

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