mp-541014/Cs3Sb2I9/harm

Harmonic properties

../../_images/fig_bandos_pr9455.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13230.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9455.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29216.png

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

Summary

../../_images/fig_times16451.png

(a) Computation time