[CP2K-user] [CP2K:18433] question about CP2K metadynamic potential energy

alh chin alhchin at gmail.com
Fri Feb 10 07:40:59 UTC 2023

Dear developers and users

when doing any kind of metadynamics with CP2K, there is an external 
potential added to calculate the forces. My question is, 

Is the external potential added to the CP2K output "POTENTIAL 
ENERGY[hartree]" term?

To my understanding this "POTENTIAL ENERGY" the "single point energy" and 
is directly from the Schrodinger eq., which does not include the external 
potential. (Am I correct?)


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