mp-696283/H4S4N6O/harm

Equation of state

../../_images/fig_bm2416.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4885.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6815.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4885.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24694.png

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

Summary

../../_images/fig_times8672.png

(a) Computation time