mp-1080041/Cs2NaBiCl6/harm

Harmonic properties

../../_images/fig_bandos_pr16966.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21273.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16965.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216518.png

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

Summary

../../_images/fig_times27653.png

(a) Computation time