mp-23029/Cs3Sb2I9/harm

Harmonic properties

../../_images/fig_bandos_pr12827.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17219.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12827.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212523.png

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

Summary

../../_images/fig_times21741.png

(a) Computation time