mp-10960-2/Tb2Ti2S2O5/harm

Harmonic properties

../../_images/fig_bandos_pr689.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos572.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo689.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2600.png

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

Summary

../../_images/fig_times989.png

(a) Computation time