Hi All,
I heard that Adaptively Compressed Exchange Operator (ACE) [J. Chem. Theory Comput., 2016, 12 (5), pp 2242–2249] method was successfully implemented in Quantum Esspresso code.
It improves speed of hybrid calculations by factor larger than 5. It would be extremely useful for our group projects. Are there any plans to implement ACE in VASP?
Lukas
Adaptively Compressed Exchange Operator
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Re: Adaptively Compressed Exchange Operator
This method is available in VASP.6 and can be selected with
See our wiki here for more details.
Code: Select all
LFOCKACE=.TRUE.