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. 2023 Jun 19;9(1):106. doi: 10.1038/s41524-023-01033-4

Fig. 14. Negligible effects of anharmonicity in v-SiO2 described with the BKS potential.

Fig. 14

Evaluating the conductivity using the protocol to determine the bulk limit yields an anharmonic rWTE conductivity (solid purple) that differs only about 4% from the bulk limit of the AF conductivity (dotted purple, evaluated using a Gaussian broadening ℏη = 4 cm−1 determined from a convergence test analogous to that reported in Fig. 2). In contrast, evaluating the AF and WTE conductivities at q = 0 only (and using a Lorentzian broadening ℏη = 1.6 cm−1 in the former case) yield values that strongly underestimates the bulk value for the AF conductivity (dotted orange) and weakly underestimates the Wigner conductivity (solid orange), respectively.