mp-24113/SnH8N2F6/harm

Harmonic properties

../../_images/fig_bandos_pr12334.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16551.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12334.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212033.png

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

Summary

../../_images/fig_times20933.png

(a) Computation time