Fig. 15. Convergence of linewidths and rWTE conductivity with respect to cutoff for third-order IFC.

a Linewidth distribution for the 108(D) model at q = 0 and using different cutoffs: crosses are 3rd nearest neighbor (0.26 nm, 12348 displacements), circles are 6th nearest neighbor (0.32 nm, 18972 displacements), triangles are 10th nearest neighbor (0.39 nm, 29592 displacements), squares are 20th nearest neighbor (0.46 nm, 53352 displacements). b Solid lines are the rWTE conductivities at different temperatures computed using the function Γ_a[ω] determined from the linewidths distributions in (a) using Eqs. (10), (11); the dashed lines are the Allen-Feldman conductivities.