[Wien] How to use mBJ method to determine the magnetic ground state

[Abderrahmane Reggad]

Dear Wien Users

I have used the PBE+U method (with U=4.5 eV) to determine the magnetic
ground structure which is AFM1 for 3d compound. I have succeded to get this
magnetic ground state but the problem is that I have got a gap bigger than
the expermimental one (0.1 and 1.3 eV).

Now, I want to know how to use the mBJ method to determine the magnetic
ground structure with a gap close to the experimental one.

Best regards

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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