mp-989629/CsRb2GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr862.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos768.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo862.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2757.png

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

Summary

../../_images/fig_times1271.png

(a) Computation time