mp-569548-2/CsAuBr3/harm

Equation of state

../../_images/fig_bm3745.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7035.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10012.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7035.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26812.png

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

Summary

../../_images/fig_times12569.png

(a) Computation time