<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>Dear Peram, </div><div><br></div><div>be a little bit more curious and ambitious. </div><div>Try to google "pwscf grüneisen" and have fun with some of the first results, e.g.:</div><div><br></div><div><a href="http://www.fisica.uniud.it/~giannozz/Papers/QHA.pdf">http://www.fisica.uniud.it/~giannozz/Papers/QHA.pdf</a></div><div><br></div><div>I remember times, when people read books and publications to understand physics...</div><div><br></div><div>best regards</div><div>Nicki</div><div><br></div><div><div>-------------------------------------------------------------</div><div>Nicki Frank Hinsche, Dr. rer. nat.</div><div>Institute of physics - Theoretical physics,</div><div>Martin-Luther-University Halle-Wittenberg,</div><div>Von-Seckendorff-Platz 1, Room 1.07<br>D-06120 Halle/Saale, Germany</div><div><div><div>Tel.: ++49 345 5525460</div><div>-------------------------------------------------------------</div></div></div></div><div><br></div><br><div><div></div><blockquote type="cite"><div>Date: Fri, 27 Sep 2013 18:14:51 +0530<br>From: Peram sreenivasa reddy <<a href="mailto:peramsreenivas@gmail.com">peramsreenivas@gmail.com</a>><br>Subject: [Pw_forum] want to calculate Thermal expansion coefficient<br><span class="Apple-tab-span" style="white-space: pre; "> </span>and<span class="Apple-tab-span" style="white-space: pre; "> </span>Gruneisen parameter</div></blockquote><br><blockquote type="cite">Dear pw_forum members,<br><br> I want to study thermal properties of a X2YZ type compound. I run QHA<br>successfully. In that QHA.out file i am getting only Cv, Free energy,<br>Internal energy and Entropy.<br><br> I want to calculate Thermal expansion coefficient and Gruneisen parameter.<br><br>Please advise me how to calculate these two parameters.</blockquote></div></body></html>