[Wien] mBJ after HF with alpha equals to 0.05

[shamik chakrabarti]

Dear Wien2k users,

                    I am simulating a spinel cubic structure with formula
ABCO4 with 56 atoms / unit cell. I have achieved accurate voltage
prediction with alpha 0.05. However, during DOS I have increased the k-mesh
to 8 k points. With this the band gap is coming as 0.25 eV which seems to
be very less (although we do not have experimental data yet). My query is
should I run mBJ as a perturbation after getting the convergence with hf
with alpha =0.05?

with regards, .

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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