mp-554593-2/TbTaO4/harm

Harmonic properties

../../_images/fig_bandos_pr9033.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12737.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9033.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28795.png

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

Summary

../../_images/fig_times15817.png

(a) Computation time