mp-13744/Rb3GaO3/harm

Harmonic properties

../../_images/fig_bandos_pr14941.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14941.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214558.png

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

Summary

../../_images/fig_times24768.png

(a) Computation time