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atztogo avatar atztogo commented on August 16, 2024

I don't see what you mean but I think you can find the answer if you read the paper carefully.
I think this question is not about the detail of the code, so please send your question to the phonopy mailing list if you can not your the answer in the paper.

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Nileme avatar Nileme commented on August 16, 2024

I am sorry. Please let me say it again. The phonon lifetime is equal to 1/(22PI*gamma) at some temperature and some grid point, on the website http://atztogo.github.io/phono3py/hdf5_howto.html, but in "Distributions of phonon lifetimes in Brillouin zones" paper the gamma(imaginary part of the self-energy) corresponds to equation 11, which is a formula for at least two parameters of omega and phonon ocuupation number. I don't know how the first mentioned gamma(in the phonon lifetime) was obtained. Is the gamma the integral of omega and phonon occupation number? I'm not sure about that. Can you give me more details? Thank you so much.
Best wishes!

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atztogo avatar atztogo commented on August 16, 2024

Still not clear for me. As I wrote, I want to receive this kind of question from the phonopy mailing list because this question is more shared among users. Here I suppose the issues on technical problems of the code are discussed.

a formula for at least two parameters of omega and phonon ocuupation number.

This is not very correct. You can read the formula straightforwardly as it is written. It's a function of \omega and \lambda. Eq.11 gives \Gamma_\lambda(\omega), where \omega is arbitrary. Lifetime is defined as 1/2\Gamma_\lambda (\omega_\lambda), where \omega_\lambda is the phonon frequency of phonon mode \lambda. Therefore this \Gamma_\lambda(\omega) is a function of \lambda, but not \omega.

Again, please send your question to the phonopy mailing list.

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Nileme avatar Nileme commented on August 16, 2024

Thanks for your reply. Let me think about your formula again. I don't know about phonopy mailing list yet.

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