On 12/10/25 16:09, Aditya Putatunda wrote: > 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"?
well, no, I cannot, I did not add that option, but anyway:
Can this be safely ignored?
yes, it can be safely ignored. It is used for orbital-resolved DFT+U, not your case
Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216 _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
