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Question about ACE Operator for hybrid functionals
Posted: Mon Nov 24, 2025 5:29 pm
by reynaldo.putra
Hello all,
I noticed that the tag LFOCKACE is only set True by default when using Algo = Normal. Is there a reason against using LFOCKACE for Algo = Damped or Algo = All?
Thank you, and best regards,
Reynaldo
Re: Question about ACE Operator for hybrid functionals
Posted: Mon Nov 24, 2025 8:27 pm
by fabien_tran1
Hi,
The ACE technique is (and can be) implemented only for the Davidson minimization method (ALGO=Normal). Other related threads that may be useful are
https://www.vasp.at/forum/viewtopic.php?t=19841
https://www.vasp.at/forum/viewtopic.php?t=20426