[CP2K-user] [CP2K:17841] Generating Electrostatic Potential Maps

[Woody Wilson]

Hello everyone,

I am trying to make an electrostatic potential map of a molecule. After 
obtaining the electrostatic potential and electron density CUBE files from 
CP2K, and after processing the cube files with 
" $ cubecruncher.x -i cp2k-ELECTRON_DENSITY-2.cube -espot_cube 
cp2k-v_hartree-2.cube -espot -o edensity_pot.cube ", the resulting cube 
file is not the electrostatic potential map that I was expecting. I've 
attached the CP2K input file I was using as well as a screenshot of me 
trying to visualize the cube file generated by cubecruncher in VESTA. Is 
there something I am doing wrong or do I need additional information? Any 
help would be much appreciated. Thanks!

Sincerely,
Woody

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