Thanks for the explanation... I will check with the pseudo without semicore
states and see if this solves the problem.
Thomas
Von: Iurii TIMROV
Gesendet: Samstag, 10. Dezember 2022 11:33:44
An: Brumme, Thomas; Paolo Giannozzi; users@lists.quantum-espresso.org
Bet
Dear Thomas,
> especially the parenthesis - I can somehow understand the problem; I guess it
> has to do with the possibility to properly project onto the "localized"
> subspace, but do you know if there is a more rigorous explanation, maybe a
> publication? Or Iurii? Maybe in one of your pape
