mp-38511-2/Ag2S/harm

Equation of state

../../_images/fig_bm5275.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10625.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14558.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10625.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210359.png

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

Summary

../../_images/fig_times18259.png

(a) Computation time