Hi all, I was calculating the workfunction of a graphene nano-ribbon using the example WorkFCT as a template. I also read the post here: http://www.democritos.it/pipermail/pw_forum/2009-September/014336.html
My question is when I calculate the WF for a nanoribbon I have vacuum along two directions and the ribbon is infinite in one (say Y dirn). In this case, I can calculate the macroscopic average of the potential along x or z, and both of them should give me the energy level of the vacuum in that space. Shouldn't these levels be the same? I did the calculations along the z direction and also tried along x to verify, but I get different potentials along x and z. Can someone please clarify? Regards, Peeyush Agarwal Research Assistant University of Illinois, Urbana-Champaign pagarwl3 at illinois.edu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121019/dbadcc67/attachment.html
