I am doing mBJ calculation for a ternary semiconductor. There are
four options for different parametrization of mBJ:
0: Original.....
1: New parametrization (Koller.........
2: New parametrization for semiconductors ........
3: Unmodified BJ potential (Backe.........)
I got reasonable band gap using unmodified BJ potential, option
3, than other options.
My query is that: Should I put unmodified BJ potential as mBJ
potential in paper
No
or write simply unmodified BJ potential without mentioning mBJ
potential?
Yes, but it should not be necessary to write unmodified. You could
simply mention that you used the Becke-Johnson (BJ) potential and cite
the article J. Chem. Phys. 124, 221101 (2006).
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