mp-1110572/Na3BiF6/harm

Harmonic properties

../../_images/fig_bandos_pr16278.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20716.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16277.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215871.png

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

Summary

../../_images/fig_times26778.png

(a) Computation time