mp-1113896/Rb2ScInF6/harm

Harmonic properties

../../_images/fig_bandos_pr16079.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20499.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16078.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215674.png

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

Summary

../../_images/fig_times26445.png

(a) Computation time