Hi all, I, now, want to plot a contour of potential energy for a hydrogen molecule dissociated on a metal surface. So the variables are the bond length of H2 and the distance between the middle point of H2 and the surface. Can anybody give me some suggestion on how to do it in PWSCF?
Thank you in advance. Bo Peng ----------------------------------------- Bo Peng, NKU, CHN Department of Chemistry -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071115/f1b1c939/attachment-0001.htm
