[QE-users] hp.x: Starting from finite U_in and V_in

[Mpayami]

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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