Given the similar profiles of the linewidths obtained with different grids (Figure ), the difference in the DoS obtained with the different q-point sampling in Figure can be attributed to better integration of reciprocal space. We note that the issue of a sharply-featured DoS can potentially be avoided by using a suitable fixed phonon linewidth, and a linewidth of Γ = 10 cm -1 gives a smooth DoS even with a comparatively sparse 2×2×2 q-point grid (Figure ). frequencies and linewidths obtained on 2×2×2 and 5×5×5 q-point grids using an anti-Lorentzian lineshape.