mp-721582-2/H2S/harm

Harmonic properties

../../_images/fig_bandos_pr4144.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5627.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4144.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23957.png

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

Summary

../../_images/fig_times7247.png

(a) Computation time