NGZ: Difference between revisions

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{{TAGDEF|NGZ|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}}
{{TAGDEF|NGZ|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}}


Description: {{TAG|NGZ}} sets the number of grid points in the FFT-grid along the third lattice vector.
Description: {{TAG|NGZ}} sets the number of grid points in the FFT grid along the third lattice vector.
----
----
By default {{TAG|NGZ}} is set in accordance with the requested "precision"-mode ({{TAG|PREC}}) and the plane wave kinetic energy cutoff {{TAG|ENCUT}}:
By default {{TAG|NGZ}} 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"
|{{TAG|PREC}} || {{TAG|NGZ}}  
|{{TAG|PREC}} ||align="center"| {{TAG|NGZ}}  
|-
|-
| Normal || 3/2&times;G<sub>cut</sub>  
| Normal ||align="center"| 3/2&times;<math>G_{\rm cut}</math>  
|-
|-
| Single || 3/2&times;G<sub>cut</sub>
| Single (VASP.5) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| Accurate || 2&times;G<sub>cut</sub>
| Single (VASP.6) ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
|-
| Low || 3/2&times;G<sub>cut</sub>
| SingleN (VASP.6) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| Medium || 3/2&times;G<sub>cut</sub>
| Accurate ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
|-
| High || 2&times;G<sub>cut</sub>
| 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
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 {{TAG|NGZ}} may be set to a specific value in the {{FILE|INCAR}} file.  
Alternatively, {{TAG|NGZ}} can be set to a specific value in the {{FILE|INCAR}} file.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|NGX}},
{{TAG|NGX}},
{{TAG|NGY}},
{{TAG|NGY}},
Line 34: Line 38:
{{TAG|PREC}},
{{TAG|PREC}},
{{TAG|ENCUT}},
{{TAG|ENCUT}},
{{TAG|ENAUG}},
{{TAG|ENAUG}}
{{TAG|ENMAX}}


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


[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]
[[Category:INCAR tag]][[Category:Projector-augmented-wave method]]

Latest revision as of 11:56, 17 October 2024

NGZ = [integer]
Default: NGZ = set in accordance with PREC and ENCUT 

Description: NGZ sets the number of grid points in the FFT grid along the third lattice vector.


By default NGZ is set in accordance with the requested "precision" mode PREC and the plane wave kinetic energy cutoff ENCUT:

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

Related tags and articles

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

Examples that use this tag