Method for the Thermal Conductance Calculation

[ksauni]

What method does ALAMODE use to compute the thermal conductivity under different temperature? Is it non-equilibrium green function (NEGF) method or non-equilibirum molecular dynamics (NEMD)?

Does ALAMODE consider the phonon-phonon interaction and electron-phonon interaction for the thermal conductivity calculation?

Would anyone please give some explanation?

Thank you in advance.

[ttadano]

ALAMODE computes the thermal conductivity based on Boltzmann transport theory in the diffusive regime. It does not support NEGF nor NEMD.