EFIELD: Difference between revisions

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.

@@ Line 1: / Line 1: @@
 {{TAGDEF|EFIELD|[real]}}
-Description: {{TAG|EFIELD}} controls the magnitude of the applied electric force field in units of eV/Å.
+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}}=1-3. The electric force field is supplied in units of eV/&Aring;. 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}}=1-4. The electric force field is supplied in units of eV/&Aring;. 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 ==