QMAXFOCKAE: Difference between revisions
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{{TAGDEF|QMAXFOCKAE|[real array] }} | {{TAGDEF|QMAXFOCKAE|[real array] }} | ||
Description: | Description: Controls at which wave vectors the local augmentation | ||
charges are fitted to obtain an accurate charge augmentation on the plane wave grid. | 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 | 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<sup>-1</sup> | ||
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) for {{TAG|NMAXFOCKAE}}=2. | ||
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. | |||
== Related tags and articles == | == Related tags and articles == | ||
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{{sc|QMAXFOCKAE|Examples|Examples that use this tag}} | {{sc|QMAXFOCKAE|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag | [[Category:INCAR tag]][[Category:Projector-augmented-wave method]] | ||
Latest revision as of 12:55, 17 October 2024
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.