mp-989547/Rb2NaInCl6/harm

Harmonic properties

../../_images/fig_bandos_pr816.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos726.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo816.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2715.png

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

Summary

../../_images/fig_times1221.png

(a) Computation time