mp-27336/CsCuBr3/harm

Equation of state

../../_images/fig_bm5886.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12039.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16104.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12039.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211741.png

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

Summary

../../_images/fig_times20405.png

(a) Computation time