mp-1041542/ZnBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17201.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21646.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17200.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216742.png

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

Summary

../../_images/fig_times28115.png

(a) Computation time