EFIELD: Difference between revisions
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{{TAGDEF|EFIELD|[real]}} | {{TAGDEF|EFIELD|[real]}} | ||
Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field. | Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field. {{TAG|EFIELD}} is specified in units of eV/Å. | ||
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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. | ||
Revision as of 16:03, 28 July 2022
EFIELD = [real]
Description: EFIELD controls the magnitude of the applied electric force field. EFIELD is specified in units of eV/Å.
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