mp-721301/H4CSN3O3/harm

Harmonic properties

../../_images/fig_bandos_pr4138.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5617.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4138.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23951.png

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

Summary

../../_images/fig_times7237.png

(a) Computation time