mp-41734/Na8Al6Si6SO28/harm

Harmonic properties

../../_images/fig_bandos_pr10197.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14133.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10197.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29948.png

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

Summary

../../_images/fig_times17652.png

(a) Computation time