[QE-users] query regarding &SYSTEM card in case of half metal
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Thu Apr 12 08:14:17 CEST 2018
Thanks, *Paolo* for kind response!
I am running a case on the recent version of QE which shows metal character
with GGA while with HSE06 it is showing band gap ~0.3eV
So how I should treat below options/metal or semiconductor? I am running
job with uspp taken from GBRV with PBE.
What would be conv_thr in such case.
K C Bhamu
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