[CP2K-user] How to deal with the Hartree Cube file

[ub]

Hi Li,

cube_cruncher is more than capable of reading and processing cube files. If 
you would also like more flexibility for analysis, you could also try 
python codes. One such example is 
https://github.com/funkymunkycool/Cube-Toolz. There is a built-in function 
called planar_average which can return the planar-averaged esp along a 
desired axis. You should mind the units as the output of a hartree cube 
file will be in a.u. so Ha/bohr^3 and this should be considered while 
plotting the results.

Good luck!

Regards,
ub
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