mp-696123/Li10SnP2S12/harm

Harmonic properties

../../_images/fig_bandos_pr4865.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6785.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4865.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24674.png

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

Summary

../../_images/fig_times8640.png

(a) Computation time