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Jan
28
comment Double-counting correction in a LDA + DMFT calculation
Thank you for your detailed reply. I agree with all what you wrote here. However, I do not really understand the logic of updating $N^{l}$ and $N_{\sigma}^{l}$ in each DMFT cycle. I would believe that $N^{l}$ and $N_{\sigma}^{l}$ calculated from the LDA band approximates the interaction considered in the DFT calculation, thus, after subtracting this double-counting term from the DFT relevant bands, we have a well-defined (subject to the ansatz above) tight-binding (TB) model. Otherwise, if I update $N^{l}$ and $N^{l}_{\sigma}$, I have a different TB model in each DMFT cycle.
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