[Wien] new mBJ parameters (PHYSICAL REVIEW B99, 035139 (2019))

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Fri Nov 8 13:36:30 CET 2019


Dear Dr. Tran,

I found a RRB paper [1] where the authors have re-parameterized the c
parameter.

cfit=2.2507−0.03376L (L=0 for 3D systems).

As we need A,B,e and c to do a mBJ calculation.
Could you please estimate and tell us (or add one more mBJ option in
Wien2K) the values of above parameters from this paper?
[1]. https://journals.aps.org/prb/pdf/10.1103/PhysRevB.99.035139

regards
Bhamu
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