Fig. 1.

Classical thermal conductivity. Comparison between the thermal conductivity of a-Si computed for a 1728-atom supercell by the classical Green–Kubo theory of linear response using either our QHGK approach (Eq. (3), green) or equilibrium molecular dynamics (purple). The vertical bars indicate statistical errors obtained by means of cepstral analysis, as explained in Ref. ²². The k_xx, k_yy and k_zz components of thermal conductivity tensor κ are averaged to obtain a value corresponding to an isotropic amorphous media