[DFTB-Plus-User] geometric optimization

[ali sadeghi]

Hi Ahmed,

**
>
>  Is it possible to perform geometric optimization on a device under bias?
> How should the code be organized in this case?
>

I think you do not need the NEGB tool for this purpose. Just apply an
electric field to your system according to the desired bias. Then just
relax the geometry as usual.

Best,
Ali.

_______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at dftb-plus.info
> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20130107/4bd5d967/attachment.html>