[Wien] plotting conduction state densities

David Pankhurst david.pankhurst at materials.oxford.ac.uk
Wed Jul 9 13:57:01 CEST 2003


Hi Fred,

You can do this using the ALL switch in case.in2.  Adjust EMIN and eval
(see the usersguide section on lapw2) to calculate the "density" in the
range you are interested in, x lapw2 and then x lapw5.

Hope that answers your question.

best,

	Dave

On Tue, 8 Jul 2003, Fred Nastos wrote:

> 
> Dear Wien2k-users,
> 
> I think I can plot valence densities properly, but I'd like to be able to plot 
> some unoccupied bands.  Can I modify the procedure to do that?  How do I
> do that?
> 
> Thanks,
> 
> Fred
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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> 


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