mp-7583-2/SiS2/harm

Harmonic properties

../../_images/fig_bandos_pr4582.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6407.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4582.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24394.png

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

Summary

../../_images/fig_times8159.png

(a) Computation time