mp-41734-2/Na8Al6Si6SO28/harm

Equation of state

../../_images/fig_bm5114.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14134.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29949.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times17653.png

(a) Computation time