mp-779763/Tb2Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2225.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2368.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2225.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22046.png

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

Summary

../../_images/fig_times3480.png

(a) Computation time