Dear QE Developers and Users, Hi. In paper by I. Timrov et. al. PRB 103, 045141 (2021), on 7th page it is stated that:
"In view of the fact that the DFT+U (+V ) electronic ground state is often qualitatively different from the DFT one, it is usually a good idea to start the self-consistent loop in Fig. 1 from finite Uin and Vin to avoid oscillations in their value during the initial steps of their calculations. Since U and V depend on the Hubbard manifold on which they act, a reason- able guess of U in and V in can only come from a calculation done for a similar material and the same pseudopotential" Does it mean to use empirical values fitted to experiment? Thanks in advance. Best regards, Mahmoud Payami NSTRI, AEOI,Tehran, Iran
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