EFIELD: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|EFIELD|[real]}} Description: {{TAG|EFIELD}} controls the size of the applied electric field. ---- It is possible to apply an external electrostatic field in slab, or mo…') |
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{{TAGDEF|EFIELD|[real]}} | {{TAGDEF|EFIELD|[real]}} | ||
Description: {{TAG|EFIELD}} controls the | Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field. | ||
---- | ---- | ||
It is possible to apply an external electrostatic field in slab, or molecular calculations. Presently only a single value can be supplied and the field is applied in the direction selected by {{TAG|IDIPOL}}=1- | It is possible to apply an external electrostatic field in slab, or molecular calculations. Presently only a single value can be supplied and the field is applied in the direction selected by {{TAG|IDIPOL}}=1-4. The electric force field is supplied in units of eV/Å. Dipole corrections to the potential ({{TAG|LDIPOL}}=.TRUE.) can and should be turned on to avoid interactions between the periodically repeated images. | ||
{{NB|mind|The electric field is defined opposite to the common definition. So electrons will move along the direction of the electric field.}} | |||
== Related | == Related tags and articles == | ||
{{TAG|Monopole Dipole and | {{TAG|Monopole Dipole and Quadrupole corrections}}, | ||
{{TAG|NELECT}}, | {{TAG|NELECT}}, | ||
{{TAG|EPSILON}}, | {{TAG|EPSILON}}, | ||
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{{TAG|LDIPOL}} | {{TAG|LDIPOL}} | ||
{{sc|EFIELD|Howto|Workflows that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]] | [[Category:INCAR tag]][[Category:Molecules]][[Category:Electrostatics]] | ||
Latest revision as of 12:27, 23 October 2025
EFIELD = [real]
Description: EFIELD controls the magnitude of the applied electric force field.
It is possible to apply an external electrostatic field in slab, or molecular calculations. Presently only a single value can be supplied and the field is applied in the direction selected by IDIPOL=1-4. The electric force field is supplied in units of eV/Å. Dipole corrections to the potential (LDIPOL=.TRUE.) can and should be turned on to avoid interactions between the periodically repeated images.
| Mind: The electric field is defined opposite to the common definition. So electrons will move along the direction of the electric field. |
Related tags and articles
Monopole Dipole and Quadrupole corrections, NELECT, EPSILON, IDIPOL, DIPOL, LMONO, LDIPOL