mp-1228310/Ba2TbNbO6/harm

Harmonic properties

../../_images/fig_bandos_pr15140.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19515.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15139.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214755.png

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

Summary

../../_images/fig_times25054.png

(a) Computation time