[Wien] BJ vs. mBJ

[delamora]

WIEN2k users,

        I am trying the mBJ potential and the Unmodified BJ potential, so I took NaCl as an example, so I get for the gap;

without BJ:      5eV

mBJ:                 8.2eV, and Ef is at the bottom of the gap

Unmodified BJ: 6eV, Ef is not at the bottom of the gap

        With these 3 very different values which one is the best; mBJ or Unmodified BJ?


        I suppose that the Unmodified BJ is still a potential and cannot be used when Ef is not in the gap.


            Pablo

I am using WIEN2k 14.2
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