mp-1227835/BaNaTiNbO6/harm

Harmonic properties

../../_images/fig_bandos_pr15132.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15131.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214747.png

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

Summary

../../_images/fig_times25046.png

(a) Computation time