mp-989519/Cs2RbNF6/harm

Harmonic properties

../../_images/fig_bandos_pr796.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo796.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2696.png

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

Summary

../../_images/fig_times1199.png

(a) Computation time