VACPOTFLAT: Difference between revisions

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Default: '''VACPOTFLAT''' = 0.1 V/Å
Default: '''VACPOTFLAT''' = 0.1 V/Å
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Description: Maximum permissible 2D-averaged electric field for a region to be considered field free.
Description: Maximum permissible 2D-averaged electric field for a region to be considered field free.

Revision as of 10:40, 5 February 2024

VACPOTFLAT = [real]

Default: VACPOTFLAT = 0.1 V/Å


Description: Maximum permissible 2D-averaged electric field for a region to be considered field free.

If the 2D-averaged electric field in a region of space determined by VACPOTAV is smaller than VACPOTFLAT the region is considered to be field free.

Tip: Increase VACPOTFLAT in case you need a quick estimation of the vacuum potential and decrease it in case you need a precise value. Note that if you have a large enough cell and a small enough EDIFF how small VACPOTAV should not matter to the final output produced by VACPOTAV

Related tags and articles

DIPOL, LDIPOL, IDIPOL, VACPOTAV