[CP2K-user] Gibbs free energy using MP2 calculation

Dhanya Ramadas dhanuram... at gmail.com
Thu May 14 11:03:18 UTC 2020


Dear CP2K experts,
I am trying to run MP2 calculations on different phases of a crystal. The 
aim is to calculate the Gibbs free energy at various temperatures and 
pressures for the crystal.  Is there a possibility for gibbs free energy 
calculation in CP2K?
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