mp-1207064-2/Ba2TbTaO6/harm

Harmonic properties

../../_images/fig_bandos_pr15476.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19844.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15475.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215072.png

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

Summary

../../_images/fig_times25567.png

(a) Computation time