[Wien] calculation with lmbj potential

[Burhan Ahmed]

This is a continuation of my last email with the subject "calculation with lmbj potential"

"In principle, mBJ can not be applied to systems with vacuum or an
interface (see section "Modified Becke-Johnson potential (mBJ) for band
gaps" in the user's guide). An alternative is to use lmBJ as you did,
but convergence was not possible. Another possibility is to use mBJ, but
by fixing the value of grad(rho)/rho to some (maybe arbitrary) value
(see explanations in the UG).

How bad is the convergence with PBE+nlvdw? Are you also trying to relax
the structure? Can you show the input files case.in0 and case.innlvdw?"

The scf cycles of PBE+nlvdw shows the diverging nature of both charge and enrgy.

Here I am attcahing the case.in0 and case.innlvdw file.
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