ENAUG: Difference between revisions

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{{TAGDEF|ENAUG|[real]|largest ''EAUG'' read from the {{FILE|POTCAR}} file}}
{{TAGDEF|ENAUG|[real]|largest ''EAUG'' read from the {{FILE|POTCAR}} file}}


Description: {{TAG|ENAUG}} specifies the cut-off energy of the plane wave representation of the augmentation charges in eV.
Description: Specifies the cutoff energy of the plane-wave representation of the augmentation charges in eV.
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{{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.}}


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{{sc|ENAUG|Examples|Examples that use this tag}}
{{sc|ENAUG|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:Electronic minimization]]
 
[[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.

Related tags and articles

NGXF, NGYF, NGZF, ENCUT, PREC, PRECFOCK

Examples that use this tag