mp-542459/BaGa2Ge2O8/harm

Harmonic properties

../../_images/fig_bandos_pr9314.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13056.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9314.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29076.png

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

Summary

../../_images/fig_times16230.png

(a) Computation time