mp-29521-2/RbBiO2/harm

Equation of state

../../_images/fig_bm5488.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11237.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15201.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11237.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210953.png

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

Summary

../../_images/fig_times19188.png

(a) Computation time