A snapshot of your structure and an enclosed structure file will be helpful. One possible reason for metallic occupancy could be due to dangling bonds. A proper selection of the surface plane can help to eliminate them.
Oleg On Tue, Mar 25, 2014 at 9:34 AM, mourad boujnah <boujnah.mou...@gmail.com>wrote: > Dear Users and P. Blaha, > > I need help about the thin film. > I tried more than one to compute the density of state of thin film, but I > have metallic dos. I do it again in the case of AlN nano-sheet with the > same parameters as it mentioned in the link below but I get the same problem > http://www.sciencedirect.com/science/article/pii/S0030401813006251. > > If you can help me, I will be very grateful. > > Best regards > > -- > Mourad BOUJNAH > PhD Student in laboratory of magnetism and physics of high energy > Faculty of Sciences in Rabat - Morocco > Tel: *+212 **677316706* > Email: > *boujnah.mou...@gmail.com <boujnah.mou...@gmail.com>**"Research is to see > what everybody else has seen, and to think what nobody else has thought"* > > _______________________________________________ > 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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