[CP2K-user] [CP2K:21025] Total electrostatic potential of nuclei and electrons

[chaizi...@gmail.com]

Hello CP2K developers and users,

I would like to inquire about the possibility of representing the total 
electrostatic potential of nuclei and electrons on a grid (for output as a 
cube file), in both the GAPW and GPW cases. Specifically, is there a 
convenient way to collocate the contribution of the nuclear potential, as 
represented in the core Hamiltonian, onto the grid?

Thank you in advance for your assistance.

Kind regards,
Ziwei

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