i am a new user of quantum espresso i want to the cp molecular dyanamics to study some materials having solid to liquid transition but i donot know how to represent supercell of any structure and how to calculate the T/P graph for a liquid system
is there any reference available to know more about the simulation and making supercell for different systems Bd SAHOO BARC MUMBAI -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111214/085291ef/attachment.htm
