Dear Prof Giannozzi,
I am writing to clarify part of the output being printed by pw.x. For the
case of EuS (with Eu.pbe-spdfn-rrkjus_psl.1.0.0.UPF pseudopotential using
QE7.5), I have activated Hubbard U using:
HUBBARD atomic
U Eu-4f 7.0
U Eu-4d 1.0
Which results into this snippet from the output:
Exchange-correlation= SLA PW PBX PBC
( 1 4 3 4 0 0 0)
Hubbard projectors: atomic
Hubbard parameters of DFT+U (Dudarev formulation) in eV:
U(Eu-4f) = 7.0000
U(Eu-4d) = 1.0000
Internal variables: lda_plus_u = T, lda_plus_u_kind = 0
Internal variables: orbital_resolved = F, hub_pot_fix = F, apply_U = F
Could you kindly please clarify what is the meaning of "apply_U=F"? Can
this be safely ignored?
Thank you.
Regards.
Aditya Putatunda
CNR-SPIN & UniMiB
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