mp-753823/CeTh3O8/harm

Harmonic properties

../../_images/fig_bandos_pr3758.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5003.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3758.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23573.png

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

Summary

../../_images/fig_times6514.png

(a) Computation time