You can use the QHA module in QE, which gives you more detailed result.
-- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-01-28 22:11:54,"bramha pandey" <pandey.bramha at gmail.com> wrote: Good evening to all QE users 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. Thanks in advanced for your valuable comments. -- Thanks and Regards Bramha Prasad Pandey Assistant Professor (Electronics and Communication Engg) GLA Group of Institutions, Mathura. Ph. No. 08954143009 email id pandey.bramha at gmail.com bpglaitm at yahoo.co.in -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120130/2d585bfd/attachment.htm