mp-1110570/Na3GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16277.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20715.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16276.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215870.png

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

Summary

../../_images/fig_times26777.png

(a) Computation time