mp-1047431/ZnBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17090.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21457.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216642.png

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

Summary

../../_images/fig_times27862.png

(a) Computation time