mp-42255/NaCaNb2O6F/harm

Harmonic properties

../../_images/fig_bandos_pr10213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14149.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29964.png

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

Summary

../../_images/fig_times17669.png

(a) Computation time