[Wien] Convergence test for MBJ potential.

[Bikash Patra]

Dear wien2k users,

I want to compare the potential convergence of the MBJ(
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.102.226401)
and PBE functional. Now MBJ potential does not correspond to any XC
functional. For calculation,
we use LDA XC functional. That's why MBJ calculations can never be self
consistence
with respect to the total energy. Is it possible to do a convergence test
of band gaps with
increasing K points or plane wave cut-off? How to compare the convergence
of the potential of the MBJ and PBE case?

with regards,
Bikash Patra,
NISER, Bhubaneswar, INDIA

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