NGX: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 26: Line 26:
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 E<sub>cut</sub>={{TAG|ENCUT}}.
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×
Single (VASP.5) 3/2×
Single (VASP.6)
SingleN (VASP.6) 3/2×
Accurate
Low 3/2×
Medium 3/2×
High

where

with =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