mp-721299/H13S2N3O8/harm

Harmonic properties

../../_images/fig_bandos_pr4137.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5615.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4137.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23950.png

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

Summary

../../_images/fig_times7235.png

(a) Computation time