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 | == 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