NGY: Difference between revisions
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:<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 <math>E_{\rm cut}</math>={{TAG|ENCUT}}. | with <math>E_{\rm cut}</math>={{TAG|ENCUT}}. | ||
Alternatively {{TAG|NGY}} | |||
Alternatively, {{TAG|NGY}} can be set to a specific value in the {{FILE|INCAR}} file. | |||
== Related tags and articles == | == Related tags and articles == | ||
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{{TAG|PREC}}, | {{TAG|PREC}}, | ||
{{TAG|ENCUT}}, | {{TAG|ENCUT}}, | ||
{{TAG|ENAUG | {{TAG|ENAUG}} | ||
{{sc|NGY|Examples|Examples that use this tag}} | {{sc|NGY|Examples|Examples that use this tag}} | ||
Revision as of 07:47, 17 October 2023
NGY = [integer]
Default: NGY = set in accordance with PREC and ENCUT
Description: NGY sets the number of grid points in the FFT grid along the second lattice vector.
By default NGY is set in accordance with the requested "precision"-mode (PREC) and the plane wave kinetic energy cutoff ENCUT:
PREC NGY 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, NGY can be set to a specific value in the INCAR file.
Related tags and articles
NGX, NGZ, NGXF, NGYF, NGZF, PREC, ENCUT, ENAUG