mp-985591/Li6PS5Br/harm

Harmonic properties

../../_images/fig_bandos_pr1108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1040.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1108.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2974.png

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

Summary

../../_images/fig_times1666.png

(a) Computation time