[Pw_forum] A problem about electrons

[oulihui666]

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