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

ganta.pra... at gmail.com ganta.pra... at gmail.com
Mon Nov 12 12:26:29 UTC 2018


Dear CP2K team/ users,

I am using EFIELD option to calculate electric field of 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 generate 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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