EFIELD: Difference between revisions
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Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field. | Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field. | ||
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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- | 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 tags and articles == | == Related tags and articles == | ||
Latest revision as of 13:49, 23 January 2023
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