mp-554593/TbTaO4/harm

Equation of state

../../_images/fig_bm4560.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9032.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12736.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9032.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28794.png

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

Summary

../../_images/fig_times15816.png

(a) Computation time