mp-1046891/ZnBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17065.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21424.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17064.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216617.png

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

Summary

../../_images/fig_times27825.png

(a) Computation time