[CP2K-user] [CP2K:21801] Can CP2K achieve thermodynamic integration similar to that in VASP?
ice ZQing
zqlearn123 at gmail.com
Fri Sep 5 08:16:47 UTC 2025
Hello, When I was browsing VASPwiki, I saw In VASP, there is a function to
perform a Thermodynamic integration from an ideal gas as the reference
state to a target system with complete interaction Thermodynamic
integration calculations - VASP Wiki
<https://www.vasp.at/wiki/Thermodynamic_integration_calculations> I would
like to ask if such an integration can be achieved in CP2K?
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