VACPOTFLAT: Difference between revisions
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{{TAGDEF|VACPOTFLAT|[real]|0.1}} | |||
Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in eV/Å. | |||
---- | ---- | ||
A region of space is considered to be field-free if the 2D-averaged electric field ({{TAG|LVACPOTAV}}=True) is smaller than {{TAG|VACPOTFLAT}}. | |||
{{NB|tip| Increase {{TAG|VACPOTFLAT}} for a quick estimation of the vacuum potential and decrease for a precise value. If the cell is large and {{TAG|EDIFF}} small, the final result of {{TAG|LVACPOTAV}} should be independent of {{TAG|VACPOTFLAT}}.}} | |||
{{NB|tip| Increase | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|LVACPOTAV}}, | |||
{{TAG|LVTOT}}, | |||
{{TAG|LVHAR}}, | |||
{{TAG|WRT_POTENTIAL}}, | |||
{{TAG|DIPOL}}, | {{TAG|DIPOL}}, | ||
{{TAG|LDIPOL}}, | {{TAG|LDIPOL}}, | ||
{{TAG|IDIPOL | {{TAG|IDIPOL}} | ||
[[Category: | [[Category:INCAR tag]][[Category:Electrostatics]] | ||
Latest revision as of 09:27, 7 February 2024
VACPOTFLAT = [real]
Default: VACPOTFLAT = 0.1
Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in eV/Å.
A region of space is considered to be field-free if the 2D-averaged electric field (LVACPOTAV=True) is smaller than VACPOTFLAT.
| Tip: Increase VACPOTFLAT for a quick estimation of the vacuum potential and decrease for a precise value. If the cell is large and EDIFF small, the final result of LVACPOTAV should be independent of VACPOTFLAT. |
Related tags and articles
LVACPOTAV, LVTOT, LVHAR, WRT_POTENTIAL, DIPOL, LDIPOL, IDIPOL