mp-697135-2/H2S/harm

Harmonic properties

../../_images/fig_bandos_pr4664.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6475.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4664.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24475.png

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

Summary

../../_images/fig_times8268.png

(a) Computation time