mp-16061/Sr6Sb6S17/harm

Harmonic properties

../../_images/fig_bandos_pr14381.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18755.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214006.png

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

Summary

../../_images/fig_times23978.png

(a) Computation time