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We generalize the DFT/SGGA + U (density functional theory (DFT) at the spin polarized generalized gradient approximation (SGGA) and the Hubbard‐U approximation) functional with a view to bring the calculated electronic band structures in agreement with experiment in an efficient way. We show the necessity of incorporating the different components of U, namely the Us/p/d‐terms, for the s, p, and d...