mp-12640-2/Ba2DyNbO6/harm

Harmonic properties

../../_images/fig_bandos_pr15677.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20053.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15676.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215272.png

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

Summary

../../_images/fig_times25855.png

(a) Computation time