mp-28460/Br2O/harm

Harmonic properties

../../_images/fig_bandos_pr11853.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15880.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11853.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211564.png

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

Summary

../../_images/fig_times20116.png

(a) Computation time