mp-23038-2/CsVBr3/harm

Equation of state

../../_images/fig_bm6409.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12834.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17228.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12834.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212530.png

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

Summary

../../_images/fig_times21750.png

(a) Computation time