mp-28222-2/Rb3Sb2Br9/harm

Equation of state

../../_images/fig_bm5736.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11758.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15766.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11758.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211469.png

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

Summary

../../_images/fig_times19964.png

(a) Computation time