NGX: Difference between revisions

From VASP Wiki
No edit summary
 
(18 intermediate revisions by 4 users not shown)
Line 1: Line 1:
{{TAGDEF|NGX|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}}
{{TAGDEF|NGX|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}}


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"-mode ({{TAG|PREC}}) and the plane wave kinetic energy cutoff {{TAG|ENCUT}}.
By default {{TAG|NGX}} is set in accordance with the requested "precision" mode {{TAG|PREC}} and the plane wave kinetic energy cutoff {{TAG|ENCUT}}:
Alternatively {{TAG|NGX}} may be set to a specific value in the {{FILE|INCAR}} file.


== Related Tags and Sections ==
::{| cellpadding="5" cellspacing="0" border="1"
|{{TAG|PREC}} ||align="center"| {{TAG|NGX}}
|-
| Normal ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
| Single (VASP.5) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
| Single (VASP.6) ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
| SingleN (VASP.6) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
| Accurate ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
| Low ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
| Medium ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
| High ||align="center"| 2&times;<math>G_{\rm cut}</math>
|}
where
:<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math>
with <math>E_{\rm cut}</math>={{TAG|ENCUT}}.
 
Alternatively, {{TAG|NGX}} can be set to a specific value in the {{FILE|INCAR}} file.
 
== Related tags and articles ==
{{TAG|NGY}},
{{TAG|NGY}},
{{TAG|NGZ}},
{{TAG|NGZ}},
Line 14: Line 38:
{{TAG|PREC}},
{{TAG|PREC}},
{{TAG|ENCUT}},
{{TAG|ENCUT}},
{{TAG|ENAUG}},
{{TAG|ENAUG}}
{{TAG|ENMAX}}


----
{{sc|NGX|Examples|Examples that use this tag}}
[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
[[Category:INCAR tag]][[Category:Projector-augmented-wave method]]

Latest revision as of 11:55, 17 October 2024

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, NGX can be set to a specific value in the INCAR file.

Related tags and articles

NGY, NGZ, NGXF, NGYF, NGZF, PREC, ENCUT, ENAUG

Examples that use this tag