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. | {{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). | ||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|NGXF}}, | {{TAG|NGXF}}, | ||
Revision as of 15:32, 26 September 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. Note that ENAUG is used only if PREC is set to one of the old settings (Low, Medium or High).
Related tags and articles
NGXF, NGYF, NGZF, ENCUT, PREC, PRECFOCK