NGZF: Difference between revisions
No edit summary |
|||
Line 43: | Line 43: | ||
{{sc|NGZF|Examples|Examples that use this tag}} | {{sc|NGZF|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category: | [[Category:INCAR tag]][[Category:Projector-augmented-wave method]] |
Latest revision as of 11:57, 17 October 2024
NGZF = [integer]
Default: NGZF = set in accordance with PREC, NGZ, ENCUT and ENAUG
Description: NGZF sets the number of grid points in the "fine" FFT grid along the first lattice vector.
On this "fine" FFT mesh the localized augmentation charges are represented if ultrasoft pseudopotentials (USPPs) or the PAW method are used. In case USPPs are used, the local potentials (exchange-correlation, Hartree-potential, and ionic potentials) are also calculated on this "fine" FFT-mesh.
By default NGZF is set in accordance with the requested "precision" mode PREC, NGZ, and the plane wave kinetic energy cutoffs ENCUT and ENAUG:
where
Alternatively, NGZF can be set to a specific value in the INCAR file.