ENAUG: Difference between revisions
No edit summary |
No edit summary |
||
| (3 intermediate revisions by one other user not shown) | |||
| Line 1: | Line 1: | ||
{{TAGDEF|ENAUG|[real]|largest ''EAUG'' read from the {{FILE|POTCAR}} file}} | {{TAGDEF|ENAUG|[real]|largest ''EAUG'' read from the {{FILE|POTCAR}} file}} | ||
Description: | Description: Specifies the cutoff energy of the plane-wave representation of the augmentation charges in eV. | ||
---- | ---- | ||
{{TAG|ENAUG}} determines {{TAG|NGXF}}, {{TAG|NGYF}}, and {{TAG|NGZF}} in accordance with the {{TAG|PREC}} tag. | {{TAG|ENAUG}} determines {{TAG|NGXF}}, {{TAG|NGYF}}, and {{TAG|NGZF}} in accordance with the {{TAG|PREC}} tag. | ||
{{NB|deprecated|{{TAG|ENAUG}} is considered as deprecated and should not be used anymore.}} | |||
{{NB|warning|Setting {{TAG|ENAUG}} has an effect only if {{TAG|PREC}} is set to one of the old settings (Low, Medium or High), otherwise it is ignored.}} | {{NB|warning|Setting {{TAG|ENAUG}} has an effect only if {{TAG|PREC}} is set to one of the old settings (Low, Medium or High), otherwise it is ignored.}} | ||
| Line 16: | Line 16: | ||
{{sc|ENAUG|Examples|Examples that use this tag}} | {{sc|ENAUG|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category: | |||
[[Category:INCAR tag]][[Category:Projector-augmented-wave method]] | |||
Latest revision as of 09:48, 17 October 2024
ENAUG = [real]
Default: ENAUG = largest EAUG read from the POTCAR file
Description: Specifies the cutoff energy of the plane-wave representation of the augmentation charges in eV.
ENAUG determines NGXF, NGYF, and NGZF in accordance with the PREC tag.
| Deprecated: ENAUG is considered as deprecated and should not be used anymore. |
| Warning: Setting ENAUG has an effect only if PREC is set to one of the old settings (Low, Medium or High), otherwise it is ignored. |