mp-1602-2/SiS2/harm

Harmonic properties

../../_images/fig_bandos_pr200.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos220.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo200.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2186.png

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

Summary

../../_images/fig_times336.png

(a) Computation time