QMAXFOCKAE

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QMAXFOCKAE = [real array] 

Description: The parameter QMAXFOCKAE controls at which wave vectors an accurate charge augmentation is performed.


We do not recommend to set these flags manually, except after careful inspection of the vasp code (fast_aug.F). The default values are 6.0 Å-1 if NMAXFOCKAE=1 (corresponding to 140 eV), and 5.0 and 10 Å-1 (corresponding to 95 eV and 380 eV) for NMAXFOCKAE=2.

Related Tags and Sections

NMAXFOCKAE, LMAXFOCKAE