ENAUG: Difference between revisions
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{{TAGDEF|ENAUG|[real]|largest | {{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}} | {{TAG|ENAUG}} determines {{TAG|NGXF}}, {{TAG|NGYF}}, and {{TAG|NGZF}} in accordance with the {{TAG|PREC}} tag. | ||
== Related | {{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.}} | |||
== Related tags and articles == | |||
{{TAG|NGXF}}, | {{TAG|NGXF}}, | ||
{{TAG|NGYF}}, | {{TAG|NGYF}}, | ||
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{{TAG|PREC}}, | {{TAG|PREC}}, | ||
{{TAG|PRECFOCK}} | {{TAG|PRECFOCK}} | ||
[[Category:INCAR]] | {{sc|ENAUG|Examples|Examples that use this tag}} | ||
[[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. |