mp-1113775/Rb2AlInF6/harm

Harmonic properties

../../_images/fig_bandos_pr16443.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20858.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16442.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216023.png

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

Summary

../../_images/fig_times26944.png

(a) Computation time