How to obtain mean free path vs thermal conductivity

[Guodonglin-cqust]

Hi
I want to obtain the cumulative thermal conductivity as functions of the mean free path, namely, cumulative mean free path transport properties. could you tell me how to obtain it, thanks.

Regards,
Donglin Guo

[OrbitalC]

Hello,
If your installation is up to date, you will find the file outfile.cumulative_thermal_conductivity.hdf5 at the end of a thermal_conductivity run.
Note that in this file, the cumulative thermal conductivity is computed for a range of mean free paths by adding a boundary term only on the single mode approximation. If you want to also include the effects of boundaries on the collective phonon contribution, you have to run the command several time using the —max_mfp flag for the range of mfp you are interested in.
Aloïs Castellano