VACPOTFLAT: Difference between revisions
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{{TAGDEF|VACPOTFLAT|[real]|0.1}} | {{TAGDEF|VACPOTFLAT|[real]|0.1}} | ||
Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in | Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in eV/Å. | ||
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Revision as of 16:35, 6 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,