[Wien] DOS of slab

pieper pieper at ifp.tuwien.ac.at
Thu May 4 10:22:14 CEST 2017


Assuming that you meant this to be a question, and that nobody answered 
up to now: If you want a plot of some partial DOS for a bulk crystal, 
you select an atom in the unit cell and possibly some orbital. Now you 
want to calculate the partial DOS of the topmost layer ... did you try 
(to understand) what happens if you select the atom(s) in your topmost 
layer?


Am 29.04.2017 08:15, schrieb emami seyyed amir abbas:
> Dear users.
> 
> I am trying to calculate the electronic and magnetic properties of a
> thin film. I created a slab of 5 monolayer and run the scf. I desire
> to obtain the DOS of the just  top monolayer but there is no option in
> DOS program for this task. In DOS program i can plot DOS just for
> specific atom not layer.
> 
> best regards.
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---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564





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