mp-1044686/ZnBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17040.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21376.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17039.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216592.png

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

Summary

../../_images/fig_times27775.png

(a) Computation time