Including the structure file would be helpful. Oleg On Jul 19, 2015 12:24 AM, "Muhammad Sajjad" <sajja...@gmail.com> wrote:
> Dear User > After relaxation, the Si 100 layer saturated with H is behaving like a > metal. I am unable to find its reason or some wrong approach followed in my > calculations. Could you please guide me? > > Many thanks > Muhammad Sajjad > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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