mp-697135/H2S/harm

Equation of state

../../_images/fig_bm2455.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4961.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6921.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4961.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24768.png

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

Summary

../../_images/fig_times8795.png

(a) Computation time