Dear QE users
1-I want to simulate the charged oxide semiconductor slab, with desired surface charge. if choosing different values for the "tot_charge=...." is enough, for do this? or there is more consideration............. I think if we introduce excess charges by "tot_charge" utility in slab , after scf they should be localize on the surface, as the "surface charge" is this true? Thanks in advance. Yavar Taghipour Azar Physics Group, AEOI Tehran, Iran -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120822/eeb01bd2/attachment.htm