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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