VACPOTFLAT: Difference between revisions
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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. | ||
{{NB|tip| Increase '''VACPOTFLAT''' in case you need a quick estimation of the vacuum potential and decrease it in case you need a precise value. | {{NB|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 {{TAG|EDIFF}} how small '''VACPOTAV''' should not matter to the final output produced by [[VACPOTAV]]}} | ||
Note that if you have a large enough cell and a small enough {{TAG|EDIFF}} how small '''VACPOTAV''' should not matter to the final output produced by [[VACPOTAV]]}} | |||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 08:47, 5 February 2024
VACPOTFLAT = [real]
Default: VACPOTFLAT = 0.1 V/Å
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 |