mp-1207065/Ba2TbTaO6/harm

Harmonic properties

../../_images/fig_bandos_pr15477.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19845.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15476.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215073.png

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

Summary

../../_images/fig_times25568.png

(a) Computation time