[Wien] plotting conduction state densities
Fred Nastos
nastos at physics.utoronto.ca
Thu Jul 10 03:18:31 CEST 2003
The results from both methods suggested to obtain unoccupied density plots
agree. Thank you. One more question though: I've been trying to find out
how I change the contour line colo[u]rs. I've looked around, and can't find
the right gnuplot command for this. Does anyone know how to do this? I
would like a contour plot with black lines. I do not need the labels. It's
not crucial, it's just that the laser printer down the hall is black&white
and yellow lines don't show very well. :)
Thank you very much,
Fred
On July 9, 2003 07:57 am, David Pankhurst wrote:
> 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
> >
> >
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> > Wien at zeus.theochem.tuwien.ac.at
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>
> +---------------------------------+------------------------------------+
>
> | Dr David Pankhurst, | Tel : +44 1865 283325/283326 |
> | Department of Materials, | Fax : +44 1865 273789 |
> | University of Oxford, | |
> | Parks Road, Oxford OX1 3PH, UK | david.pankhurst at materials.ox.ac.uk |
>
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--
_______________________________________________________
Fred Nastos
Ph.D. Candidate
Department of Physics Tel: 416-978-4364
University of Toronto Fax: 416-978-2537
60 St. George Street
Toronto, ON M5S 1A7
Web: www.physics.utoronto.ca/~nastos
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