ENAUG: Difference between revisions
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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. 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. | ||
{{NB|important|{{TAG|ENAUG}} is used only if {{TAG|PREC}} is set to one of the old settings (Low, Medium or High), otherwise it is ignored.}} | {{NB|important|{{TAG|ENAUG}} is used only if {{TAG|PREC}} is set to one of the old settings (Low, Medium or High), otherwise it is ignored.}} | ||
Revision as of 18:31, 16 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. Note that ENAUG is used only if PREC is set to one of the old settings (Low, Medium or High), otherwise it is ignored.
| Important: ENAUG is used 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