mp-13744-2/Rb3GaO3/harm

Equation of state

../../_images/fig_bm7491.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14942.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19310.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14942.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214559.png

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

Summary

../../_images/fig_times24769.png

(a) Computation time