mp-1101094/Cs2CeCl6/harm

Harmonic properties

../../_images/fig_bandos_pr16494.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16493.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216069.png

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

Summary

../../_images/fig_times27001.png

(a) Computation time