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 ??? <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 > > ------------------------------ > ??+??+?? ??????,??MSN????! ????? <http://mobile.msn.com.cn/> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Y. C. Cheng Department of Physics Nanjing University Nanjing 210093 P. R. China Tel: 86-25-83592907 Email: yccheng.nju at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/3ab13ba3/attachment.htm
