--write-gamma do not work with the direct solution of LBTE

Question

--write-gamma do not work with the direct solution of LBTE

panxiang2019 opened this issue 5 years ago · 4 comments

panxiang2019 commented 5 years ago

Dear Prof. Atztogo,

I installed the latest phono3py (version: 1.18.2) to calculate thermal conductivity. Unfortunately, the --write-gamma option do not generate the kappa-mxxx-gx.hdf5 file in case of using the direct solution of LBTE (--lbte option). Do you have any idea?

BTW, if use the RTA method (--br option), it generates the kappa-mxxx-gx.hdf5 file normally.

Best,
Pan

Answer 1 · 2020-01-16T01:45:55.000Z

If you need only gamma, you can run with --br. If you need to run --lbte, you can use --write-collision option instead of --write-gamma.

Answer 2 · 2020-01-16T08:24:00.000Z

Dear Prof. Atztogo,

I know how to do it. Thank you very much!

Best,
Pan

Answer 3 · 2020-01-18T12:19:33.000Z

Dear Prof. Atztogo,

I find that using --write-collision option will generate many large collision-m80801-gx-s0.01.hdf5 files. Does Phono3py have a function to merge them into a collision-m80801-s0.01.hdf5 file?

Best,
Pan

Answer 4 · 2020-01-19T06:29:42.000Z

Please read the documentation. If you can't find any solution even after the documentation, please send your question to the phonopy mailing list but not here.