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://www.democritos.it/pipermail/pw_forum/attachments/20120218/21b5d665/attachment.htm
