ASE has a number of methods for thermochemistry: https://wiki.fysik.dtu.dk/ase/ase/thermochemistry/thermochemistry.html . The one relevant to you will depend on your system/application. You could also see if vaspkit or pymatgen have relevant methods, but I haven't used those for this kind of thing myself.

Hi Mathew,

Thank you so much, and really appreciate you. Normally, I use vaspkit to get Gibbs free energy correction and entropy (T*S). But I am not sure about whether it calculates enthalpy temperature correction (ʃCpdT). I have attached a file what gives from vaspkit after calcualtion.

Thanks.

I would imagine "Thermal correction to H(T)" is what you want, but I haven't used vaspkit for this so I'm not 100% sure.