mp-27544-2/Cs3Bi2Br9/harm

Equation of state

../../_images/fig_bm5953.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12135.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16239.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12135.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211836.png

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

Summary

../../_images/fig_times20567.png

(a) Computation time