mp-5710-2/Ag3Te2Au/harm

Equation of state

../../_images/fig_bm5025.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10044.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13977.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10044.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29797.png

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

Summary

../../_images/fig_times17426.png

(a) Computation time