NGXF

NGXF = [integer]
Default: NGXF = set in accordance with PREC, NGX, ENCUT and ENAUG 

Description: NGXF sets the number of grid points in the "fine" FFT grid along the first lattice vector.

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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 NGXF is set in accordance with the requested "precision" mode PREC, NGX, and the plane wave kinetic energy cutoffs ENCUT and ENAUG:

PREC	NGX	NGXF
Normal	3/2×$G_{\rm cut}$	2×NGX
Single (VASP.5)	3/2×$G_{\rm cut}$	NGX
Single (VASP.6)	2×$G_{\rm cut}$	NGX
SingleN (VASP.6)	3/2×$G_{\rm cut}$	NGX
Accurate	2×$G_{\rm cut}$	2×NGX
Low	3/2×$G_{\rm cut}$	3×$G_{\rm aug}$
Medium	3/2×$G_{\rm cut}$	4×$G_{\rm aug}$
High	2×$G_{\rm cut}$	16/3×$G_{\rm aug}$

where

$E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2 \qquad E_{\rm aug}=\frac{\hbar^2}{2m_e}G_{\rm aug}^2$

with $E_{\rm cut}$=ENCUT and $E_{\rm aug}$=ENAUG.

Alternatively, NGXF can be set to a specific value in the INCAR file.

Related tags and articles

NGX, NGY, NGZ, NGYF, NGZF, PREC, ENCUT, ENAUG

Examples that use this tag