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We study effects of charge self-consistency within the combination of densityfunctional theory (DFT; Wien2k) with dynamical mean field theory (DMFT;w2dynamics) in a basis of maximally localized Wannier orbitals. Using theexample of two cuprates, we demonstrate that even if there is only a singleWannier orbital with fixed filling, a noteworthy charge redistribution canoccur. This effect stems from a reoccupation of the Wannier orbital in k-spacewhen going from the single, metallic DFT band to the split, insulating Hubbardbands of DMFT. We analyze another charge self-consistency effect beyond movingcharge from one site to another: the correlation-enhanced orbital polarizationin a freestanding layer of SrVO3.

Charge self-consistency in density functional theory + dynamical mean field theory: k-space reoccupation and orbital order