mp-27211-2/KSb4F13/harm

Harmonic properties

../../_images/fig_bandos_pr12292.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16486.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12292.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211991.png

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

Summary

../../_images/fig_times20854.png

(a) Computation time