EFIELD: Difference between revisions

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(Created page with '{{TAGDEF|EFIELD|[real]}} Description: {{TAG|EFIELD}} controls the size of the applied electric field. ---- It is possible to apply an external electrostatic field in slab, or mo…')
 
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== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|Monopole Dipole and Quadrupole_corrections}},
{{TAG|Monopole Dipole and Quadrupole corrections}},
{{TAG|NELECT}},
{{TAG|NELECT}},
{{TAG|EPSILON}},
{{TAG|EPSILON}},

Revision as of 17:27, 10 March 2013

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


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