[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.

Regards,

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







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