mp-669308/Cs3Tm2I9/harm

Equation of state

../../_images/fig_bm2613.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5371.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7719.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5371.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25176.png

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

Summary

../../_images/fig_times9705.png

(a) Computation time