mp-1046306/Ca4Sn5Te3O18/harm

Harmonic properties

../../_images/fig_bandos_pr17055.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17054.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216607.png

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

Summary

../../_images/fig_times27812.png

(a) Computation time