VACPOTFLAT: Difference between revisions
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Default: '''VACPOTFLAT''' = 0.1 V/Å | 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. | 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. | ||
Revision as of 10:05, 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 |