mp-642227/Sb8Pb5S17/harm

Equation of state

../../_images/fig_bm2649.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5425.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7826.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5425.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25230.png

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

Summary

../../_images/fig_times9832.png

(a) Computation time