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. | ||
{{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