mp-40226/Na4Ga3Si3IO12/harm

Harmonic properties

../../_images/fig_bandos_pr10293.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14234.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10293.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210043.png

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

Summary

../../_images/fig_times17781.png

(a) Computation time