mp-23048-2/CsMnBr3/harm

Equation of state

../../_images/fig_bm6413.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12845.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17235.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12845.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212541.png

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

Summary

../../_images/fig_times21761.png

(a) Computation time