EFIELD: Difference between revisions
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Revision as of 09:45, 19 March 2017
EFIELD = [real]
Description: EFIELD controls the size of the applied electric 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 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 Sections
Monopole Dipole and Quadrupole corrections, NELECT, EPSILON, IDIPOL, DIPOL, LMONO, LDIPOL