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The underestimation of the band gap by the LDA was relatively smaller than the usual values in semiconductors, about 50%. This may result from an error cancellation with an increase of the conduction-band energy
around G because of a self-interaction energy that should be involved in the flat or localized valence bands
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The underestimation of the band gap by the LDA was relatively smaller than the usual values in semiconductors, about 50%.
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This may result from an error cancellation with an increase of the conduction-band energy round G because of a self-interaction energy that should be involved in the flat or localized valence bands
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