mp-36216/Ag2S/harm

Harmonic properties

../../_images/fig_bandos_pr10544.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14463.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10544.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210281.png

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

Summary

../../_images/fig_times18137.png

(a) Computation time