mp-4602-2/Tb2Ti2O7/harm

Equation of state

../../_images/fig_bm5053.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10088.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14024.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10088.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29840.png

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

Summary

../../_images/fig_times17495.png

(a) Computation time