mp-29295/Sr3Sb4S9/harm

Harmonic properties

../../_images/fig_bandos_pr11478.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15477.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11478.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211193.png

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

Summary

../../_images/fig_times19565.png

(a) Computation time