mp-29895/Rb3Bi2I9/harm

Harmonic properties

../../_images/fig_bandos_pr11030.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14950.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11030.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210754.png

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

Summary

../../_images/fig_times18840.png

(a) Computation time