[Pw_forum] T vs volume calculation

[zafar rasheed]

Dear Quantum Espresso Users

I want to calculate volume at different temperatures. Wolud any body guide me by using which calculation(vc md , vc relax or any other) and parameters I can calculate T-V relation. My goal is to calculate coefficient thermal of linear expansion (Alpha).

Best regards

Muhammad Zafar

PhD Scholar

Department of Physics

The Islamia University of Bahawalpur,Pakistan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120218/21b5d665/attachment.html>