mp-759722/SiH8N2F6/harm

Harmonic properties

../../_images/fig_bandos_pr3078.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3989.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3078.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22898.png

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

Summary

../../_images/fig_times5296.png

(a) Computation time