mp-42160/Na8Al6Si6SO28/harm

Harmonic properties

../../_images/fig_bandos_pr10206.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14142.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10206.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29957.png

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

Summary

../../_images/fig_times17662.png

(a) Computation time