Dear Abu

You can use Gibbs2 program

See on the website

https://aoterodelaroza.github.io/gibbs2/

or/and

https://www.youtube.com/watch?v=nAwBRAhhx5s

Best regards

Carlos

correct me if i am wrong...wein2k code is better idea Carlos Ariel Samudio Pérez Mohammed Abu-Jafar

Dear Abu Baker,

Please refer to the following link and you will find that Phonopy Code is efficient to calculate Phonon and Thermal properties.

http://wien2k-algerien1970.blogspot.com/2022/08/how-to-install-phonopy-code-to.html

With best regards

Mohammed Abu-Jafar

Abu,

I like to work using the WIEN code because it is considered one of the most accurate DFT codes for solids. But, there are many other computer programs that offer different features:

https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software

I agree with Prof. Carlos. Wien2k is also an efficient tool in calculating the thermal properties of materials.