Surface dipole correction in new version of CP2K 2.5

[Andrei Buin]

I do apologize - it is working. Looked at the plane averaged Hartree 
potentials and no linear component. 

Thanks a lot guys, was waiting for this feature long ago.

With Best Regards, Andrei Buin.

вторник, 15 июля 2014 г., 14:19:12 UTC-4 пользователь Andrei Buin написал:
>
> I'm testing the Surface dipole correction  option in the new release (2.5 
> and upwards) and i see no difference compared to the original case (no 
> Dipole correction). I dont even see the any sort of output related to the 
> Surface dipole correction. Energies are the same although i use very large 
> vacuum amount. I was wondering, does it have any sort of output or it just 
> silently does it job ?
>
> With Best Regards, Andrei Buin.
>
>
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