mp-755948-2/Tm2TiO5/harm

Harmonic properties

../../_images/fig_bandos_pr3507.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4686.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3507.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23325.png

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

Summary

../../_images/fig_times6097.png

(a) Computation time