Fig. 4: Dependence of the elastic moduli and Poisson’s ratio on the length of the 600 K-NPT CP molecular dynamics trajectory for t-LGPS.
From: Solids that are also liquids: elastic tensors of superionic materials
Each point corresponds to a trajectory which is n-block long, with n = 2, . . N blocks, N being the number of blocks that we have chosen for the whole trajectory, in this case 47 (see Fig. 3), each block containing the # data (~2000 data, ~4 ps) as determined from Fig. 3. The error bars are the standard errors of the moduli for each trajectory, obtained from the variance over the blocks, since these blocks are already uncorrelated and there is no need to repeat the block analysis in Fig. 3 for each of these calculations. Analogous plots for o-LGPS, t-LGPO, and o-LGPO are reported in Supplementary Figure 8.
