mp-554359-2/Cs2Si3SnO9/harm

Equation of state

../../_images/fig_bm4527.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8978.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12658.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8978.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28739.png

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

Summary

../../_images/fig_times15729.png

(a) Computation time