mp-1194090/CsSbC6Cl5/harm

Harmonic properties

../../_images/fig_bandos_pr15854.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15853.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215449.png

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

Summary

../../_images/fig_times26128.png

(a) Computation time