mp-779551/Ba4Br6O/harm

Harmonic properties

../../_images/fig_bandos_pr2211.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2333.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2211.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22032.png

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

Summary

../../_images/fig_times3445.png

(a) Computation time