mp-736261/Sb4H8C2S7N/harm

Harmonic properties

../../_images/fig_bandos_pr4106.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5541.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4106.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23919.png

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

Summary

../../_images/fig_times7158.png

(a) Computation time