[DFTB-Plus-User] external electric field for periodic systems

[Bálint Aradi]

Dear Anton,

> direction. As far as I understood from the manual of DFTB+ 1.2 the
> external field cannot be applied for periodic systems in the direction
> of periodicity due to saw-tooth shape of the potential. So, is there any
> workaround this problem using DFTB+ code, so I could calculate energy
> response of the system to arbitrary oriented external field for periodic
> systems such as graphene sheet?

Not really. As you have recognized correctly, you can basically only
calculate external electric fields orthogonal to your slab.

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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