mp-1111945/Na3AlF6/harm

Harmonic properties

../../_images/fig_bandos_pr16381.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20814.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16380.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215971.png

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

Summary

../../_images/fig_times26882.png

(a) Computation time