[DFTB-Plus-User] External field strength units
balint.aradi at bccms.uni-bremen.de
Wed Aug 7 08:48:21 CEST 2013
> what is the units for keyword "Strength" in "Extrenal" block for
> "ElectricField" option? Does this saw-tooth potential for "External"
> option equivalent to 2 appropriate planes of point charges located at
> the supercell boundary for "PointCharge" option?
As indicated in the manual: electric field strength. You can find in
appendix B the units you can specify (au or v/m). Yes, theoretically you
could create a similar potential by having two charged planes.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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