mp-532443-2/Li5V5Cl16/harm

Equation of state

../../_images/fig_bm4817.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9663.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9663.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29424.png

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

Summary

../../_images/fig_times16808.png

(a) Computation time