mp-1114251/Na3YF6/harm

Harmonic properties

../../_images/fig_bandos_pr16081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20501.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215676.png

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

Summary

../../_images/fig_times26447.png

(a) Computation time