PRECFOCK
PRECFOCK = Low | Medium | Fast | Normal | Accurate
Default: PRECFOCK = Normal
Description: PRECFOCK controls the FFT grids used in the exact exchange routines (Hartree-Fock and hybrid functionals).
PRECFOCK FFT-grid Augmentation charge Quality Low Gcut identical to standard DFT large noise in forces/energy errors Medium identical to std. FFT identical to standard DFT some noise in forces/good energy Fast Gcut very soft augmentation charge some noise in forces/good energy Normal 3/2×Gcut soft augmentation charge accurate forces and energy Accurate 2×Gcut soft augmentation charge very accurate forces and energy
Related Tags and Sections
ENCUT, hybrid functionals, settings for specific hybrid functionals