[QE-users] Doubt regarding the band gap calculation of graphene using HSE06

UPASANA NATH unath at iitg.ac.in
Mon Jul 26 12:30:35 CEST 2021


Dear Sir,

I am calculating the band Gap of pristine graphene (which is zero) using HSE06 functional. but it is coming around 0.2 eV.  I am attaching my input and output file here with the mail. kindly help me with is regard.

Thanking you in advance
Regards
Upasana Nath
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