Dear All, I want to calculate the planar average of potential along a certain direction for a bulk supercell. Could anyone tell me how to choose the value for awin (window size for macroscopic averages)?
Thank you. -- Izaak Williamson Research Assistant Physics Department Boise State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120510/ab14583e/attachment.htm
