mp-28377-2/CsGeI3/harm

Equation of state

../../_images/fig_bm5767.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11832.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15844.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11832.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211543.png

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

Summary

../../_images/fig_times20070.png

(a) Computation time