mp-545479/B4CCl6O/harm

Harmonic properties

../../_images/fig_bandos_pr9375.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9375.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29137.png

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

Summary

../../_images/fig_times16340.png

(a) Computation time