Dear all, I have performed ab-initio Molecular Dynamics within the CP code and I would like to collect the MSD of each ions during the dynamics.
Please could somebody tell me how to proceed from QE output? Thanks very much for your answers ******************************** Bertrand SITAMTZE YOUMBI, PhD Laboratory of Material Sciences University of Yaounde I-Cameroon ***************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110117/efd88638/attachment.htm