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

[ganta.pra... at gmail.com]

Dear Dr. Vladimir Rybkin,

Thank you for the suggestion.

On Monday, November 12, 2018 at 3:18:06 PM UTC+1, Vladimir Rybkin wrote:
>
> Dear Prasanth,
>
> it is unlikely that the option is implemented incorrectly. Likely, that's 
> the physics of your system. Alternatively, there is an issue with 
> visualization. Try different thresholds in VMD.
>
> Yours,
>
> Vladimir
>
> понедельник, 12 ноября 2018 г., 13:26:29 UTC+1 пользователь 
> ganta.... at gmail.com написал:
>>
>> 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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