mp-1046766/ZnSn4O6/harm

Harmonic properties

../../_images/fig_bandos_pr17059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21417.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216611.png

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

Summary

../../_images/fig_times27818.png

(a) Computation time