QMAXFOCKAE

From VASP Wiki

QMAXFOCKAE = [real array] 

Description: Controls at which wave vectors the local augmentation charges are fitted to obtain an accurate charge augmentation on the plane-wave grid.


We do not recommend setting these tags 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 articles

NMAXFOCKAE, LMAXFOCKAE, LFOCKAEDFT

Examples that use this tag