Dear pwscf users, Recently, I want to ask a problem about electrons, how to assign an excess or deficit number of electrons ne to the metal and a corresponding electronic charge q=?ne to the system with respect to neutrality in the process of calculation with pwscf. Thanks in advance Best wishes Lihui Ou
-- ====================================== Lihui Ou PH.D Candidate in Electrochemistry College of Chemistry and Molecular Science Wuhan University,430072,Hubei Province,China E-mail:oulihui666 at 126.com ====================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071118/5fd606e5/attachment.htm
