mp-989511/Cs2AsBrCl6/harm

Harmonic properties

../../_images/fig_bandos_pr792.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos700.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo792.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2692.png

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

Summary

../../_images/fig_times1194.png

(a) Computation time