mp-5282-2/AgCO2/harm

Equation of state

../../_images/fig_bm4952.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9935.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13854.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9935.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29688.png

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

Summary

../../_images/fig_times17262.png

(a) Computation time