How to calculate Gibbs free energy from pw.x output?

Raza Ullah Shah Bacha @Raza-Ullah-Shah-Bacha

21 March 2023 1 10K Report

i have optimized the structure using pw.x and i got the total energy. i want to calculate the gibbs free energy from the output

Mohammad Afkani

Try THERMO_PW package

Check out:

https://people.sissa.it/~dalcorso/thermo_pw/tutorial/node23.html

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