VACPOTFLAT: Difference between revisions

Latest revision as of 09:27, 7 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.

@@ Line 1: / Line 1: @@
-'''VACPOTFLAT''' = [real]
+{{TAGDEF|VACPOTFLAT|[real]|0.1}}
-Default: '''VACPOTFLAT''' = 0.1 V/Å
+Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in eV/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.
-{{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]]}}
+A region of space is considered to be field-free if the 2D-averaged electric field ({{TAG|LVACPOTAV}}=True) is smaller than {{TAG|VACPOTFLAT}}.
+{{NB|tip| Increase {{TAG|VACPOTFLAT}} for a quick estimation of the vacuum potential and decrease for a precise value. If the cell is large and {{TAG|EDIFF}} small, the final result of {{TAG|LVACPOTAV}} should be independent of {{TAG|VACPOTFLAT}}.}}
 == Related tags and articles ==
+{{TAG|LVACPOTAV}},
+{{TAG|LVTOT}},
+{{TAG|LVHAR}},
+{{TAG|WRT_POTENTIAL}},
 {{TAG|DIPOL}},
 {{TAG|LDIPOL}},
-{{TAG|IDIPOL}},
+{{TAG|IDIPOL}}
-{{TAG|VACPOTAV}}
-[[Category:Electrostatics]][[Category:INCAR tag]]
+[[Category:INCAR tag]][[Category:Electrostatics]]