mp-720721/SiH18C4N8O4F6/harm

Harmonic properties

../../_images/fig_bandos_pr4309.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6052.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4309.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24122.png

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

Summary

../../_images/fig_times7690.png

(a) Computation time