VACPOTFLAT: Difference between revisions

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(Created page with "'''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. {{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''' shoul...")
 
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'''VACPOTFLAT''' = [real]
{{TAGDEF|VACPOTFLAT|[real]|0.1}}


Default: '''VACPOTFLAT''' = 0.1 V
Description: Maximum permissible 2D-averaged electric field for a region considered to be field-free in eV.
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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.
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 '''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 {{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}}.}}
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 ==
{{TAG|LVACPOTAV}},
{{TAG|LVTOT}},
{{TAG|LVHAR}},
{{TAG|WRT_POTENTIAL}},
{{TAG|DIPOL}},
{{TAG|LDIPOL}},
{{TAG|IDIPOL}}
 
[[Category:INCAR tag]][[Category:Electrostatics]]

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.

Related tags and articles

LVACPOTAV, LVTOT, LVHAR, WRT_POTENTIAL, DIPOL, LDIPOL, IDIPOL