mp-850378-2/H11S2N3O7/harm

Equation of state

../../_images/fig_bm668.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1722.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21554.png

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

Summary

../../_images/fig_times2618.png

(a) Computation time