<div>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.</div>
<div>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 ? <br>
<br></div>
<div class="gmail_quote">2009/9/2 刘永铎 <span dir="ltr"><<a href="mailto:liuyongduo@hotmail.com">liuyongduo@hotmail.com</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>Dear QE users:<br><br> Anybody knows how to control the temperature of Raman spectra calculation? Is it 0 k by default?<br><br>best<br><br><br>Yongduo Liu<br><br>University of California, Los Angeles<br><br>
MSE<br><br>
<hr>
聊天+搜索+邮箱 想要轻松出游,手机MSN帮你搞定! <a href="http://mobile.msn.com.cn/" target="_blank">立刻下载!</a></div><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br><br></blockquote></div><br><br clear="all">
<div></div><br>-- <br>Y. C. Cheng<br>Department of Physics<br>Nanjing University<br>Nanjing 210093<br>P. R. China<br>Tel: 86-25-83592907<br>Email: <a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a><br>