Can CP2K achieve thermodynamic integration similar to that in VASP?

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ice ZQing

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Sep 5, 2025, 4:16:47 AMSep 5
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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   I would like to ask if such an integration can be achieved in CP2K?

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