Working flow

  1. Harmonic matrices for the system and its components are firstly generated, which established the harmonic relationship between any two atomic degree of freedom.
  2. Green’s functions of the system and its components are calculated from the harmonic matrices.
  3. frequency-depdendent phonon transmission is then generated, and integration is performed over the full frequency spectrum to get the net heat flow rate.

Self-energy matrices

Green’s function Matrices

Phonon transmission function & thermal conductance