[CP2K-user] Plane average electrostatic potential along Z axis.

[Harsha]

Hello everyone,

I generated CUBE file using the V_HARTREE_CUBE command. However, now I am 
trying to plot the plane average electrostatic potential along Z-axis. 
Based on suggestions from other conversations here I installed Cubecruncher 
but couldn't figure out the proper syntax to use it 

./cubecruncher.x -espot -i input.cube -o output.cube 

can someone please correct the syntax.

Since I couldn't figure out the correct syntax for cubecruncher I used 
cubetoolz script from : https://github.com/funkymunkycool/Cube-Toolz and 
generated the plane average electrostatic potential file along Z-axis and 
plot the output.

To verify if the plot I generated is correct, I repeated the experiment 
using VASP and generated the same plot (both attached below). If you look 
at the Y-axis of both plots you can see that the difference in the scale, 
VASP is in eV and cp2K in Hartree(?)  

Does anyone know why there is sure a huge difference in both? difference 
between two plateaus in VASP is ~3eV and in cp2k is ~50 Hartree. Since both 
codes generate very similar plots I suspect the problem is with units.

I have a feeling I am missing something trivial but couldn't figure out 
what, any suggestions would be of immense help.

Please and Thank you,

Harsha.
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