mp-989520/Rb2NaBiCl6/harm

Harmonic properties

../../_images/fig_bandos_pr797.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos706.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo797.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2697.png

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

Summary

../../_images/fig_times1200.png

(a) Computation time