mp-674972/Rb6Pb5Cl16/harm

Equation of state

../../_images/fig_bm2547.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5197.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7412.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5197.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25002.png

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

Summary

../../_images/fig_times9343.png

(a) Computation time