[Wien] What's the correct procedure for mBJ calculation

[Abderrahmane Reggad]

Hi Polack

According to the reply of Prof Tran ( check this  link
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2016-March/024447.html ) ,
we can modify the c parameter until we get the experimental value of gap.

I used the default parameters and it gives wrong value .

This value of gap I have got it also using the GGA+U parameter with U= 3 eV
and It's optained also for other calculations with GGA+U in the literature.

For my structure; It's of high symmetry without free parameter for the
atomic position.

I want to know how to modify the c parameter to get the experimental value .

Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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