mp-14853/Ba3Er4O9/harm

Harmonic properties

../../_images/fig_bandos_pr14539.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18893.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14539.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214158.png

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

Summary

../../_images/fig_times24198.png

(a) Computation time