Hello QE users,I want to study my system in different temperature, because I have to know about stability of the system. what do I do? I think I should use MD calculation, but I'm not sure. If yes please help me for building input file for increasing temperature. thanks in advance Farzad Molani,
Ph.D Student, Department of Theoretical Physical Chemistry, K. N. Toosi University of Technology, Tehran, Iran. Tel.: 009891 4442 3308 Tel.: 009821 2306 4280 Fax: 009821 2285 3650 Web: http://www.chem.kntu.ac.ir/~sjalili:/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120606/868e232f/attachment.htm
