NGX: Difference between revisions
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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 | 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" | ||
|{{TAG|PREC}} || {{TAG|NGX}} | |{{TAG|PREC}} ||align="center"| {{TAG|NGX}} | ||
|- | |- | ||
| Normal || 3/2×<math>G_{\rm cut}</math> | | Normal ||align="center"| 3/2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| Single (VASP.5) || 3/2×<math>G_{\rm cut}</math> | | Single (VASP.5) ||align="center"| 3/2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| Single (VASP.6) || 2×<math>G_{\rm cut}</math> | | Single (VASP.6) ||align="center"| 2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| SingleN (VASP.6) || 3/2×<math>G_{\rm cut}</math> | | SingleN (VASP.6) ||align="center"| 3/2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| Accurate || 2×<math>G_{\rm cut}</math> | | Accurate ||align="center"| 2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| Low || 3/2×<math>G_{\rm cut}</math> | | Low ||align="center"| 3/2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| Medium || 3/2×<math>G_{\rm cut}</math> | | Medium ||align="center"| 3/2×<math>G_{\rm cut}</math> | ||
|- | |- | ||
| High || | | High ||align="center"| 2×<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|NGX}} can be set to a specific value in the {{FILE|INCAR}} file. | Alternatively, {{TAG|NGX}} 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|NGX|Examples|Examples that use this tag}} | {{sc|NGX|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category: | [[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:
where
with =ENCUT.
Alternatively, NGX can be set to a specific value in the INCAR file.