mp-532384/Dy2Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr9661.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13507.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9661.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29422.png

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

Summary

../../_images/fig_times16804.png

(a) Computation time