mp-1113433/Na3ScF6/harm

Harmonic properties

../../_images/fig_bandos_pr16430.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20851.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16429.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216013.png

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

Summary

../../_images/fig_times26931.png

(a) Computation time