NGX

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Revision as of 07:41, 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×Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
Single (VASP.5) 3/2×Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
Single (VASP.6) Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
SingleN (VASP.6) 3/2×Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
Accurate Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
Low 3/2×Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
Medium 3/2×Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}
High Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): G_{{{\rm {cut}}}}

where

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): E_{{{\rm {cut}}}}={\frac {\hbar ^{2}}{2m_{e}}}G_{{{\rm {cut}}}}^{2}

with Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://www.vasp.at/wiki/restbase/vasp.at/v1/":): E_{{{\rm {cut}}}} =ENCUT.

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

Related tags and articles

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

Examples that use this tag