[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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