mp-554782/Li2Ga2GeS6/harm

Equation of state

../../_images/fig_bm4586.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9083.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12806.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9083.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28845.png

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

Summary

../../_images/fig_times15895.png

(a) Computation time