mp-768223/Cs2CeO3/harm

Harmonic properties

../../_images/fig_bandos_pr2816.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3495.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2816.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22637.png

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

Summary

../../_images/fig_times4744.png

(a) Computation time