mp-1206273/Ba3UO6/harm

Harmonic properties

../../_images/fig_bandos_pr15447.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19826.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15446.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215050.png

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

Summary

../../_images/fig_times25532.png

(a) Computation time