mp-532443/Li5V5Cl16/harm

Harmonic properties

../../_images/fig_bandos_pr9662.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13510.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9662.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29423.png

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

Summary

../../_images/fig_times16807.png

(a) Computation time