mp-699606/Sb3WC6O6F17/harm

Harmonic properties

../../_images/fig_bandos_pr4768.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6640.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4768.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24579.png

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

Summary

../../_images/fig_times8458.png

(a) Computation time