mp-757917-2/BeGa2O4/harm

Equation of state

../../_images/fig_bm1473.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4224.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23017.png

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

Summary

../../_images/fig_times5548.png

(a) Computation time