NGX

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Revision as of 07:40, 17 October 2023 by Ftran (talk | contribs)

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

Description: NGX sets the number of grid points in the FFT-grid along the first lattice vector.


By default NGX is set in accordance with the requested "precision" mode (PREC) and the plane wave kinetic energy cutoff ENCUT:

PREC NGX
Normal 3/2×[math]\displaystyle{ G_{\rm cut} }[/math]
Single (VASP.5) 3/2×[math]\displaystyle{ G_{\rm cut} }[/math]
Single (VASP.6) [math]\displaystyle{ G_{\rm cut} }[/math]
SingleN (VASP.6) 3/2×[math]\displaystyle{ G_{\rm cut} }[/math]
Accurate [math]\displaystyle{ G_{\rm cut} }[/math]
Low 3/2×[math]\displaystyle{ G_{\rm cut} }[/math]
Medium 3/2×[math]\displaystyle{ G_{\rm cut} }[/math]
High [math]\displaystyle{ G_{\rm cut} }[/math]

where

[math]\displaystyle{ E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2 }[/math]

with [math]\displaystyle{ E_{\rm cut} }[/math]=ENCUT.

Alternatively, set NGX to a specific value in the INCAR file.

Related tags and articles

NGY, NGZ, NGXF, NGYF, NGZF, PREC, ENCUT, ENAUG, ENMAX

Examples that use this tag