mp-31115/Er3GaO6/harm

Harmonic properties

../../_images/fig_bandos_pr10722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14645.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10722.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210455.png

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

Summary

../../_images/fig_times18395.png

(a) Computation time