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note
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The GGA + U band-structure calculations were also performed using many different values of the on-site Coulomb interaction U. The calculated band gaps (eV) are 1.49,2.10,2.70,3.18, 3.58,3.66,3.74 eV, respectively, corresponding to the U values (eV) of 4.5,6.5,8.5,10.5,12.5,14.5,16.5.
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