ENAUG: Difference between revisions

Latest revision as of 13:01, 25 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.

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.

@@ Line 3: / Line 3: @@
 Description: {{TAG|ENAUG}} specifies the cut-off energy of the plane wave representation of the augmentation charges in eV.
 ----
-{{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|deprecated|{{TAG|ENAUG}} is considered as deprecated and should not be used anymore.}}
-{{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|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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