mp-1046192/Sn5Te3O18/harm

Harmonic properties

../../_images/fig_bandos_pr17054.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21408.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216606.png

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

Summary

../../_images/fig_times27809.png

(a) Computation time