operatable finite field

Axel akoh... at gmail.com
Sat Apr 18 20:50:25 UTC 2009



On Apr 18, 4:44 pm, Hanning Chen <chenh... at gmail.com> wrote:
> Dear CP2K users,
>   I tried to simulate a system under finite electric field by specifying
>
>              &DFT
>                &FIELD
>                    EFIELD_POLARISATION 0.0 0.0 1.0
>                    EFIELD _STRENGTH       1.0
>                 &END FIELD
>               &END DFT
>
> But I got the error message "finite field ot operational" in the output
> file. Since my system is isolated, I guess adding an external electric field
> should be easy and clean.

feel free to do it then.

cheers,
   axel.


>
> Thanks.
>
> Hanning Chen


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