[CP2K-user] Atom-Centered Electrostatic Potentials

Emily E emily... at gmail.com
Wed Jun 16 13:08:39 UTC 2021

Dear All,

The command V_HARTREE_CUBE 
<https://manual.cp2k.org/trunk/index.html#CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html> prints 
out a cube file with electrostatic potentials. I am interested in 
generating electrostatic potentials that are centered on the atoms in the 
system. Is there a particular command to do this? On a related note, how 
does the stride keyword work or can this be used to print atom-centered 
electrostatic potentials?

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