mp-989605/Cs2RbInF6/harm

Harmonic properties

../../_images/fig_bandos_pr849.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos754.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo849.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2746.png

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

Summary

../../_images/fig_times1254.png

(a) Computation time