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[matthieu verstraete <Matthieu.Verstraete@ulg.ac.be>]

now answered on the forum:

http://forum.abinit.org/viewtopic.php?f=8&t=65

On Thu, Feb 18, 2010 at 6:32 PM, Denis Dolgos <dolgos@iis.ee.ethz.ch> wrote:
> Dear all,
>
> I would like to calculate the full band electronic structure of e.g. GaAs in
> the irreducible wedge of the Brillouin zone. If I remember correctly, only
> lines through the Brillouin zone were computed using kptbounds and ndivk in
> the tutorial. To get the eigenenergies in the irreducible wedge via
> kptbounds is quite tedious.
>
> Is it possible to define the k points one by one for the eigenenergies
> output?
>
> Thanks in advance for any advice.
>
>
> Greeting from Zurich
> Denis
>
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Prof. Matthieu Verstraete

Universite de Liège
Institut de Physique, Bat. B5, 3/7
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Belgium

Associate member European Theoretical Spectroscopy Facility (ETSF
http://www.etsf.eu)

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Mail : matthieu.verstraete@ulg.ac.be
          matthieu.jean.verstraete@gmail.com