[Pw_forum] band and dos input files in xcrysden

Tone Kokalj tone.kokalj at ijs.si
Fri Feb 20 12:08:43 CET 2009


On Thu, 2009-02-19 at 23:48 -0300, Eduardo Ariel Menendez Proupin wrote:
> Hi Tone,
> 
> Do you have plans to add the capability in PWGUI to generate inputs
> for bands.x and dos.x ?

Actually, I didn't have, but this can be easily done. Due to your
request I will do so in the future.

> It would be goood to operate it in an easy way, i.e. inheriting
> outdir and prefix from the parent pw.x input and Emin=-10.0, Emax=25.0
> from the pw.x output.

Don't know what exactly you mean for Emin and Emax, however, as far as
the outdir and prefix are concerned, how should pwgui know which is the
corresponding pw.x input file? (this would be needed for the
inheritance).

Regards, Tone
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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