ENAUG

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Revision as of 13:01, 25 October 2023 by Ftran (talk | contribs)

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.

Related tags and articles

NGXF, NGYF, NGZF, ENCUT, PREC, PRECFOCK

Examples that use this tag