mp-542464/Ga2H6Se3O12/harm

Harmonic properties

../../_images/fig_bandos_pr9318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13061.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29080.png

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

Summary

../../_images/fig_times16235.png

(a) Computation time