[Wien] band gap issue

fatima DFT fatimadft5 at gmail.com
Wed Aug 9 00:01:36 CEST 2017


Dear List,
I compiled the results of a complex structure with PBE+SO.

Results look okay to me  what about I am worried is:
When  I do grep :GAP *.scf on terminal then it shows band gap ~1.01 eV.
When I see at the plots then it shows band gap ~0.7eV at Gamma point.

Could you please tell me whats wrong here?

Regards
Fatima
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