QMAXFOCKAE: Difference between revisions
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{{TAGDEF|QMAXFOCKAE|[real array] }} | {{TAGDEF|QMAXFOCKAE|[real array] }} | ||
Description: The parameter {{TAG|QMAXFOCKAE}} controls at which wave vectors an accurate | Description: The parameter {{TAG|QMAXFOCKAE}} controls at which wave vectors the local augmentation | ||
charge augmentation | charges are fitted to obtain an accurate charge augmentation on the plane wave grid. | ||
---- | ---- | ||
We do not recommend | We do not recommend setting these tags manually, except after careful inspection | ||
of the | of the VASP code (fast_aug.F). The default values are 6.0 Å<sup>-1</sup> | ||
if {{TAG|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV) | if {{TAG|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV) | ||
for {{TAG|NMAXFOCKAE}}=2. | for {{TAG|NMAXFOCKAE}}=2. | ||
== Related | == Related tags and articles == | ||
{{TAG|NMAXFOCKAE}}, | {{TAG|NMAXFOCKAE}}, | ||
{{TAG|LMAXFOCKAE}} | {{TAG|LMAXFOCKAE}}, {{TAG|LFOCKAEDFT}} | ||
{{sc|QMAXFOCKAE|Examples|Examples that use this tag}} | |||
---- | |||
[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Projector-augmented-wave method]] | |||
Latest revision as of 15:45, 6 April 2022
QMAXFOCKAE = [real array]
Description: The parameter QMAXFOCKAE 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