mp-696283-2/H4S4N6O/harm

Harmonic properties

../../_images/fig_bandos_pr4886.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6816.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4886.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24695.png

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

Summary

../../_images/fig_times8673.png

(a) Computation time