mp-9359-2/ZnSiAg2O4/harm

Equation of state

../../_images/fig_bm520.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1351.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21303.png

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

Summary

../../_images/fig_times2167.png

(a) Computation time