[Wien] Band gap calculation

Peeyush kumar kamlesh peeyush.physik.rku at gmail.com
Mon Dec 23 07:36:07 CET 2019


Dear Gavin Sir,
Thank you for your response.
I did k-point convergence test by a test package "test_conv-5.0.tar.gz". I
dont know whether it is gives completely satisfactory results or not. If
you have any other package for kpt convergence kindly let me know, so that
i can do the right calculations. Also I used non shifted k-mash in the
calculations of the band gap.

Thank you so much!
Regards
Peeyush Kamlesh
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