VACPOTFLAT
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 |