NGX: Difference between revisions
No edit summary |
No edit summary |
||
| Line 24: | Line 24: | ||
with E<sub>cut</sub>={{TAG|ENCUT}}. | with E<sub>cut</sub>={{TAG|ENCUT}}. | ||
Alternatively {{TAG|NGX}} | Alternatively, set {{TAG|NGX}} to a specific value in the {{FILE|INCAR}} file. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| Line 40: | Line 40: | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Electronic | [[Category:INCAR]][[Category:Electronic minimization]] | ||
Revision as of 14:38, 6 April 2022
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 Ecut=ENCUT.
Alternatively, set NGX to a specific value in the INCAR file.
Related Tags and Sections
NGY, NGZ, NGXF, NGYF, NGZF, PREC, ENCUT, ENAUG, ENMAX