How can I calculate lattice thermal conductivity using phonopy code?

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Dibya Prakash Rai

Thanks Dear Yesim

Dear Yesim

Many thanks for the link but it shows the calculation procedure for VASP code.

I am using wien2k. It will be very kind if you provide a paper that has calculation of lattice thermal conductivity using wien2k.

Regards!!

Rai

Fatih Ersan

Dear Rai,

As you know phonopy is an interface program, so you can calculate it with same procedure. Maybe this link and pdf will be useful for you.

Sincerely yours.

Fatih

http://atztogo.github.io/phonopy/

or you can check this pdf

Dear Prof. Ersan

Many thanks for the paper.

Regards

Please somebody suggest me any code to calculate lattice thermal conductivity?

M A Askari

shengBTE and phono3py.