[CP2K-user] [CP2K:18219] Computing the total potential from electrons and nuclei

Kirill Zatrimaylov green9t at gmail.com
Mon Dec 19 15:27:40 UTC 2022

Hi everyone, I would like to ask you how can I compute the overall 
potential of electrons and nuclei in a system and put it in a variable? 
Say, if I need the total potential at a point A to remain fixed at V_A all 
times, I would need to apply the external potential 
V_ext=V_A-V_nucl(A)-V_el(A); how can I do that?

Thank you!

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