NGY: Difference between revisions

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Description: {{TAG|NGY}} sets the number of grid points in the FFT grid along the second lattice vector.
Description: {{TAG|NGY}} sets the number of grid points in the FFT grid along the second lattice vector.
----
----
By default {{TAG|NGY}} is set in accordance with the requested "precision" mode ({{TAG|PREC}}) and the plane wave kinetic energy cutoff {{TAG|ENCUT}}:
By default {{TAG|NGY}} 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|NGY}}  
|{{TAG|PREC}} ||align="center"| {{TAG|NGY}}  
|-
|-
| Normal || 3/2&times;<math>G_{\rm cut}</math>  
| Normal ||align="center"| 3/2&times;<math>G_{\rm cut}</math>  
|-
|-
| Single (VASP.5) || 3/2&times;<math>G_{\rm cut}</math>
| Single (VASP.5) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| Single (VASP.6) || 2&times;<math>G_{\rm cut}</math>
| Single (VASP.6) ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
|-
| SingleN (VASP.6) || 3/2&times;<math>G_{\rm cut}</math>
| SingleN (VASP.6) ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| Accurate || 2&times;<math>G_{\rm cut}</math>
| Accurate ||align="center"| 2&times;<math>G_{\rm cut}</math>
|-
|-
| Low || 3/2&times;<math>G_{\rm cut}</math>
| Low ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| Medium || 3/2&times;<math>G_{\rm cut}</math>
| Medium ||align="center"| 3/2&times;<math>G_{\rm cut}</math>
|-
|-
| High || 2&times;<math>G_{\rm cut}</math>
| High ||align="center"| 2&times;<math>G_{\rm cut}</math>
|}
|}
where
where
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with <math>E_{\rm cut}</math>={{TAG|ENCUT}}.
with <math>E_{\rm cut}</math>={{TAG|ENCUT}}.


Alternatively, {{TAG|NGY}} can be set to a specific value in the {{FILE|INCAR}} file.  
Alternatively, {{TAG|NGY}} can be set to a specific value in the {{FILE|INCAR}} file.


== Related tags and articles ==
== Related tags and articles ==
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{{sc|NGY|Examples|Examples that use this tag}}
{{sc|NGY|Examples|Examples that use this tag}}
----


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

Latest revision as of 11:56, 17 October 2024

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

Description: NGY sets the number of grid points in the FFT grid along the second lattice vector.


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

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

Related tags and articles

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

Examples that use this tag