mp-541899-2/CsCdBr3/harm

Equation of state

../../_images/fig_bm4786.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9577.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13387.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9577.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29338.png

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

Summary

../../_images/fig_times16658.png

(a) Computation time