mp-743965-2/SiH12N2O4F6/harm

Harmonic properties

../../_images/fig_bandos_pr4127.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5588.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4127.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23940.png

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

Summary

../../_images/fig_times7208.png

(a) Computation time