mp-772191/Tm2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr2550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3055.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2550.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22371.png

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

Summary

../../_images/fig_times4224.png

(a) Computation time