mp-554782-2/Li2Ga2GeS6/harm

Harmonic properties

../../_images/fig_bandos_pr8767.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12334.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8767.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28528.png

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

Summary

../../_images/fig_times15363.png

(a) Computation time