Use x supercell to generate a film with some vacuum. Am 23.10.2010 13:09, schrieb ould mohammed brahim khalil: > I have the honor and pleasure for you the send the message,Mr. Professor > I inform you that I am a student searchin laboratory of magnetism and > high energy physics in Morocco. > I worked on the ZnO thin films by ab initio from the code Wien2k 2007. > but I found a problem how to deposit the vacuum space between the layer > The steps I'am: > *Multiple axis C by 2 > *Divide the positions on this axis by 2 > the result, I found not comparable with the results of other. > I find that the DOS don't have a band gap > if possible you help me to exceed this problem please. > you pray Accept my highest considerations!!!!!! > > > ?couter > Lire phon?tiquement > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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