[QE-users] zero-point energy (ZPE) correction

[thorgalg]

Dear All
  
 
I'm going to simulate a catalytic process including transition state calculations.
Furthermore, I want to calculate the zero-point energy (ZPE) correction to get the
Gibbs free energy. Therefore, I would like to ask you how to calculate vibrational
modes only for the adsorbate using the QE packages?
 
Best,
Tom
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