mp-706277-2/Li10SiP2Se12/harm

Harmonic properties

../../_images/fig_bandos_pr4451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6242.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24264.png

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

Summary

../../_images/fig_times7931.png

(a) Computation time