actually, I have added U to get similar GGA+U but I haven't get the same result. First, I am trying to understand bandstructure difference without U.
Unknown point left for me is that I simulate 1.1.2 everything looks Ok (not same but similar subband structure with reported bandstructure, I know affect of U) but when I simulate 2.2.2 I get extra 2subband at conduction band and valence band locate at lower position than 1.1.2. Why?
Please Look at my picture. You will see extra subband and the difference between them, I am trying to understand why extra subband ?what effect on 2.2.2 structure to get different band structure?
Thanks