mp-752526/Lu2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr3910.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5191.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3910.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23723.png

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

Summary

../../_images/fig_times6768.png

(a) Computation time