mp-27629/Cs3Sb2Cl9/harm

Harmonic properties

../../_images/fig_bandos_pr12167.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16276.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12167.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211868.png

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

Summary

../../_images/fig_times20615.png

(a) Computation time