[CP2K-user] visualize the electric field due to a surface on the grid (mesh) of the system box (ABC).

[Matt W]

Away from a neutral surface the potential should become constant and 
therefore the efield = 0. Are you sure the efield is not there across the 
box but just very small away from the nuclei?

Matt

On Monday, November 12, 2018 at 12:26:29 PM UTC, ganta.... at gmail.com 
wrote:
>
> Dear CP2K team/ users,
>
> I am using EFIELD option to calculate electric field due to a surface 
> CP2K_INPUT <https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT.html> / 
> FORCE_EVAL 
> <https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL.html> / DFT 
> <https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT.html> 
> / PRINT 
> <https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html> 
> / EFIELD_CUBE 
> <https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/EFIELD_CUBE.html>
> .
>
> But the generated EFIELD is confined to the near surface of the atoms and 
> is these any possibility to calculate resultant EFIELD data on the total 
> system grid i,e ABC dimensions. 
>
> Please let me know.
>
> Have a nice day.
>
> Thanks and Regards,
> Prasanth. 
>
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