mp-541057-2/Rb4Re6S13/harm

Equation of state

../../_images/fig_bm4730.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9468.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13245.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9468.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29229.png

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

Summary

../../_images/fig_times16468.png

(a) Computation time