mp-729075/Sn5C6S9N2O2/harm

Harmonic properties

../../_images/fig_bandos_pr4025.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5357.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4025.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23838.png

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

Summary

../../_images/fig_times6968.png

(a) Computation time