[Wien] Fwd: bandplot

[samaneh javan]

---------- Forwarded message ----------
From: samaneh javan <samjavan at gmail.com>
Date: Thu, Jun 19, 2008 at 9:42 AM
Subject: bandplot
To: wien at zeus.theochem.tuwien.ac.at


Dear Users,
  I read userguide and plot my band structure according to that.
The process is
after a successful scf
  making case.klist_band
   x lapw1 -band
   x lapw2 -qtl -band
   editing case.insp
   x spaghetti
   plot ...

my questions:

1- I saw case.energy but I want to know from which file I can calculate band
gap and band width exactly  and how.

2. Is there any difference between  bandstructure of one case with the same
case.klist_band but different case.klist ?

Thanks in advance
Samaneh Javan
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