NGX: Difference between revisions
No edit summary |
No edit summary |
||
Line 3: | Line 3: | ||
Description: {{TAG|NGX}} sets the number of grid points in the FFT-grid along the first lattice vector. | Description: {{TAG|NGX}} sets the number of grid points in the FFT-grid along the first lattice vector. | ||
---- | ---- | ||
By default {{TAG|NGX}} is set in accordance with the requested "precision" | By default {{TAG|NGX}} is set in accordance with the requested "precision" mode ({{TAG|PREC}}) and the plane wave kinetic energy cutoff {{TAG|ENCUT}}: | ||
::{| cellpadding="5" cellspacing="0" border="1" | ::{| cellpadding="5" cellspacing="0" border="1" |
Revision as of 07:40, 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:
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