mp-27167-2/Sn2IF3/harm

Equation of state

../../_images/fig_bm6039.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12266.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16446.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12266.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211965.png

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

Summary

../../_images/fig_times20808.png

(a) Computation time