EAUG: Difference between revisions
Created page with "{{TAGDEF|EAUG|[real]|value read from {{FILE|POTCAR}}}} Description: {{TAG|EAUG}} specifies the energy cutoff for the plane-wave representation for the augmentation charges in eV for the pseudopotential it is read from. ---- For a multi-element {{FILE|POTCAR}} file, the maximum {{TAG|EAUG}} determines the cutoff energy for the plane-wave representation of the augmentation charges. {{NB|deprecated|The value of {{TAG|EAUG}} can be overwritten by setting {{TAG|ENAUG}} in..." |
m Wolloch moved page Construction:EAUG to EAUG |
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Latest revision as of 14:15, 12 June 2024
EAUG = [real]
Default: EAUG = value read from POTCAR
Description: EAUG specifies the energy cutoff for the plane-wave representation for the augmentation charges in eV for the pseudopotential it is read from.
For a multi-element POTCAR file, the maximum EAUG determines the cutoff energy for the plane-wave representation of the augmentation charges.
| Deprecated: The value of EAUG can be overwritten by setting ENAUG in the INCAR file, but this functionality is deprecated and should not be used anymore. |