mp-696127/Li10GeP2Se12/harm

Equation of state

../../_images/fig_bm2407.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4868.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6788.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4868.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24677.png

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

Summary

../../_images/fig_times8643.png

(a) Computation time