mp-685370/Y2Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5015.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7037.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5015.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24820.png

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

Summary

../../_images/fig_times8928.png

(a) Computation time