mp-644445/Rb4CdCl6/harm

Harmonic properties

../../_images/fig_bandos_pr5567.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7971.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5567.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25368.png

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

Summary

../../_images/fig_times10040.png

(a) Computation time