Dear All, I would like to perform a Car-Parrinello molecular dynamics with cp.x code (version 4.3.1) on a metallic system (alloy surface). I verified that if you specify electron_dynamics = 'verlet' the only possible electron occupations are fixed, witch is not very suitable for a metal system.
Can Anybody confirm what I have just affirmed? Could Anybody suggest me how to perform a CP molecular dynamics of metal surface? Best regards, Sara Furlan Department of Physics, University of Trieste (Italy) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110601/6dbf07da/attachment.htm
