mp-29226/Ca3Ga4O9/harm

Harmonic properties

../../_images/fig_bandos_pr11449.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15447.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11449.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211165.png

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

Summary

../../_images/fig_times19521.png

(a) Computation time