[Wien] Request

[Peter Blaha]

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!!!!!!
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671