[CP2K-user] Atom-Centered Electrostatic Potentials

[Emily E]

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?

Thanks!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210616/6198865e/attachment.htm>