[CP2K-user] [CP2K:17409] How to perform Gibbs FREE_ENERGY calculations?

kannan ss kannanss414 at gmail.com
Fri Jul 29 05:02:43 UTC 2022

Dear CP2K experts,

I am trying to perform an H evolution reaction at metal surfaces. The aim
is to calculate the Gibbs free energy at various temperatures and pressures
for the complex system.  *Please could suggest or give guidance to do the
step by step process of Gibbs free energy calculation in CP2K?.* This will
be more useful for my research and also catalysis researchers of our CP2K

Thanking You and With my Kind Regards,
*Dr. S. Kamalakannan*

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