EFIELD: Difference between revisions

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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}}=1-3. 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.
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}}=1-3. 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.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|Monopole Dipole and Quadrupole corrections}},
{{TAG|Monopole Dipole and Quadrupole corrections}},
{{TAG|NELECT}},
{{TAG|NELECT}},
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[[Category:INCAR]][[Category:Molecules]][[Category:Monopole Dipole and Quadrupole Corrections]]
[[Category:INCAR tag]][[Category:Molecules]][[Category:Monopole Dipole and Quadrupole Corrections]]

Revision as of 14:11, 8 April 2022

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=1-3. 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.

Related tags and articles

Monopole Dipole and Quadrupole corrections, NELECT, EPSILON, IDIPOL, DIPOL, LMONO, LDIPOL

Examples that use this tag