isotope scatterings contribution

[kamalwahhid-cyber]

Dear Professor,
I would like to know whether the isotope scatterings contribution is already included in the phonon lifetime results calculated with ALAMODE, or whether it needs to be explicitly activated via the isotope option in order to be added.?
Thank you very much

[ttadano]

If you set ISOTOPE = 1, the isotope scattering effect is automatically included in the thermal conductivity results. However, the phonon linewidth extracted from PREFIX.result only consider three-phonon scattering effect, so if want to obtain a total linewidth of 3ph and iso scatterings, you need to manually add them up. You can print out the self-energies of the ph-iso scattering by setting ISOTOPE=2.