NGX: Difference between revisions
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with <math>E_{\rm cut}</math>={{TAG|ENCUT}}. | with <math>E_{\rm cut}</math>={{TAG|ENCUT}}. | ||
Alternatively, {{TAG|NGX}} can be set to a specific value in the {{FILE|INCAR}} file. | Alternatively, {{TAG|NGX}} can be set to a specific value in the {{FILE|INCAR}} file. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 07:49, 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×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) 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}}}} 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 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}}}} 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 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}}}}
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