[Wien] HOW do I calculate band gap

bs bs bs.bs313 at gmail.com
Mon Jul 4 12:12:50 CEST 2011


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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