mp-552200/Ba2TaBiO6/harm

Harmonic properties

../../_images/fig_bandos_pr9160.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12875.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9160.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28922.png

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

Summary

../../_images/fig_times15997.png

(a) Computation time