mp-555077/Sn2IF3/harm

Equation of state

../../_images/fig_bm4460.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8831.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8831.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28592.png

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

Summary

../../_images/fig_times15489.png

(a) Computation time