<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">You can use the QHA module in QE, which gives you more detailed result.<br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science & Engineering Department,<br>Seoul National University, South Korea<br>
</div><div id="divNeteaseMailCard"></div><br>At 2012-01-28 22:11:54,"bramha pandey" <pandey.bramha@gmail.com> wrote:<br> <blockquote id="isReplyContent" style="padding-left: 1ex; margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204, 204, 204);"><br clear="all">Good evening to all QE users<br>
<br> I wanted to calculate the thermodynamical property of system using
QE. i was trying to use fqha.x code which was giving only free energy at
each temperature. but i require other properties of thermodynamic like
cv, internal energy etc. how can i get other properties of
thermodynamic using fqha.x.<br><br>Thanks in advanced for your valuable comments.<br>
<br><br><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>Assistant Professor (Electronics and Communication Engg)<br>GLA Group of Institutions, Mathura.<br>Ph. No. 08954143009<br>email id <a href="mailto:pandey.bramha@gmail.com">pandey.bramha@gmail.com</a><br>
<a href="mailto:bpglaitm@yahoo.co.in">bpglaitm@yahoo.co.in</a><br>
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