NGX: Difference between revisions
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where | where | ||
:<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math> | :<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math> | ||
with | with <math>E_{\rm cut}</math>={{TAG|ENCUT}}. | ||
Alternatively, set {{TAG|NGX}} to a specific value in the {{FILE|INCAR}} file. | Alternatively, set {{TAG|NGX}} to a specific value in the {{FILE|INCAR}} file. | ||
Revision as of 07:39, 17 October 2023
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) 2×[math]\displaystyle{ G_{\rm cut} }[/math] SingleN (VASP.6) 3/2×[math]\displaystyle{ G_{\rm cut} }[/math] Accurate 2×[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 2×[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