[Wien] mBJ+SOC

Wahid Kamal kamal.wahhid at gmail.com
Tue Sep 14 20:15:33 CEST 2021


Dear Wien2k users,
For mBJ+SOC calculation, should I start with a SOC calculation (with PBE)
and then I continue with mBJ (init_mbj and scf with -so) or else I have to
start with an scf with mBJ (without SOC) then I continue with SOC (init_so)?
Thank you
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