mp-641987/Sb8Pb7S19/harm

Equation of state

../../_images/fig_bm2648.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5424.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7825.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5424.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25229.png

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

Summary

../../_images/fig_times9831.png

(a) Computation time