mp-561045/Ba8Ce3Sb4O24/harm

Harmonic properties

../../_images/fig_bandos_pr7625.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7625.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27388.png

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

Summary

../../_images/fig_times13482.png

(a) Computation time