mp-755643-2/Rb3InO3/harm

Equation of state

../../_images/fig_bm1665.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4597.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23269.png

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

Summary

../../_images/fig_times5992.png

(a) Computation time