mp-695929/Cs3B6H12S4Br/harm

Harmonic properties

../../_images/fig_bandos_pr4858.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6760.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4858.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24667.png

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

Summary

../../_images/fig_times8613.png

(a) Computation time