I am a newly inducted research scholar doing my research in properties of thermoelectrics. Various sources indicated that PHONO3PY is a good package for calculating lattice thermal conductivity. I have followed and researched upon articles and guides for the calculation but I am currently stuck at generating 3rd order force constants (ie fc3) which was required for thermal conductivity.

I would be truly happy if anyone could guide me through this.

Thanking in advance.

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