mp-1046871/ZnSb2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17063.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17062.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216615.png

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

Summary

../../_images/fig_times27823.png

(a) Computation time