mp-774417-2/Sn3P6WO24/harm

Equation of state

../../_images/fig_bm1177.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2404.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2404.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22225.png

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

Summary

../../_images/fig_times3942.png

(a) Computation time