[Pw_forum] charged species

Igor Pasti igor at ffh.bg.ac.yu
Wed Mar 12 09:28:36 CET 2008

Dear QE users,

I was wondering if it is possible to study charged species with QE. For 
example, is it possible to define OH- ion adsorbed on Ni surface in such a way 
that charge is localised on O atom. If this is possible, I would greatly 
appreciate if anyone can tell me how to do that.


Igor Pasti
Igor Pasti, Faculty of Physical Chemistry, University of Belgrade
Studentski trg 12, Belgrade

More information about the users mailing list