mp-551873-2/Ca4Bi2O/harm

Equation of state

../../_images/fig_bm4606.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9147.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12862.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9147.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28909.png

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

Summary

../../_images/fig_times15979.png

(a) Computation time