mp-27897-2/BaN2O4/harm

Harmonic properties

../../_images/fig_bandos_pr11952.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16002.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11952.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211655.png

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

Summary

../../_images/fig_times20274.png

(a) Computation time