mp-770959/Ba3GeO5/harm

Harmonic properties

../../_images/fig_bandos_pr2472.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2928.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2472.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22293.png

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

Summary

../../_images/fig_times4078.png

(a) Computation time