[DFTB-Plus-User] Applying an electric field with periodic boundaries

Ashwin Ramasubramaniam ashwin.ramasubramaniam at gmail.com
Thu Jul 29 20:13:51 CEST 2010


Hello DFTB+ users,

I see from the manual that an external field can only be applied for
non-periodic systems. Presumably a periodic system requires the use of point
charges. Is there an example available (or would any of the users be kind
enough to share one) for how to go about applying an external field using
point charges in the periodic case?

thanks,
-Ashwin.
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