Dear Professor Peter Blaha, Tran and Wien2k users,
I have computed the energy gap for Cu2O by using GGA, mBJ, and GGA+U, I got
same energy gap of 1 eV.In principle by using mBJ, the energy gap should be
increased close to expermimental value around 2 eV.Why mBJ is giving same value
as GGA and it is not improved? even I tried GGA+U and the same problem and no
thing was changed for all approximations.
I would be thankful for your suggestion and answer to solve the problem.
Sincerely yours,
Halim Said
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