[Wien] HOW do I calculate band gap

[sjalali at phys.ui.ac.ir]

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Sincerely yours,

S. Jalali

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Saeid Jalali Asadabadi,

Department of Physics, Faculty of Science,

University of Isfahan (UI), Hezar Gerib Avenue,

81744 Isfahan, Iran.

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From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of bs bs
Sent: Monday, July 04, 2011 2:43 PM
To: Wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] HOW do I calculate band gap

 

HELLO
I work on beta -Ga2O3
I have 2 questions
1)after run of scf I dont know how calculate bandgap
2) in instgen_lapw I chose atomic configuration as no spin-polarization,is
my chose correct
please guid me
thank

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