mp-669308-2/Cs3Tm2I9/harm

Harmonic properties

../../_images/fig_bandos_pr5372.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7720.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5372.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25177.png

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

Summary

../../_images/fig_times9706.png

(a) Computation time