[Pw_forum] Temperature of Raman spectra

程迎春 yccheng.nju at gmail.com
Wed Sep 2 08:39:29 CEST 2009


As far as I know, there is no parameter to control temperature in Raman
spectra calculation in PH package.  However, the temperature effect in Raman
spectra sometimes relates to the phonon lifetime.  There are some papers
(PRL_99_176802 and PRL_75_1819) refering to the temperature effect in Raman
and phonon lifetime.
The paper (PRL_99_176802) studied temperature effect in Raman spectra using
Quantum-espresso. I have searched the examples directory and have no idea
how to calculate phonon lifetime.  Can someone give more advice ?

2009/9/2 刘永铎 <liuyongduo at hotmail.com>

> Dear QE users:
>
>          Anybody knows how to control the temperature of Raman spectra
> calculation? Is it 0 k by default?
>
> best
>
>
> Yongduo Liu
>
> University of California, Los Angeles
>
> MSE
>
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-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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