mp-554139/Ba3Ga2Ge4O14/harm

Harmonic properties

../../_images/fig_bandos_pr8919.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12573.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8919.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28680.png

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

Summary

../../_images/fig_times15633.png

(a) Computation time