ENAUG: Difference between revisions

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Description: {{TAG|ENAUG}} specifies the cut-off energy of the plane wave representation of the augmentation charges in eV.
Description: {{TAG|ENAUG}} specifies the cut-off 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. Note that {{TAG|ENAUG}} is used only if {{TAG|PREC}} is set to one of the old settings (Low, Medium or High), otherwise it is ignored.
{{TAG|ENAUG}} determines {{TAG|NGXF}}, {{TAG|NGYF}}, and {{TAG|NGZF}} in accordance with the {{TAG|PREC}} tag.


{{NB|important|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|important|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.}}

Revision as of 09:03, 19 October 2023

ENAUG = [real]
Default: ENAUG = largest EAUG read from the POTCAR file 

Description: ENAUG specifies the cut-off energy of the plane wave representation of the augmentation charges in eV.


ENAUG determines NGXF, NGYF, and NGZF in accordance with the PREC tag.


Important: 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