NGY: Difference between revisions
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::{| 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×<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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{{sc|NGY|Examples|Examples that use this tag}} | {{sc|NGY|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category: | [[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:
where
with =ENCUT.
Alternatively, NGY can be set to a specific value in the INCAR file.