mp-13843/Li2TeO4/harm

Harmonic properties

../../_images/fig_bandos_pr14977.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19339.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14976.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214594.png

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

Summary

../../_images/fig_times24813.png

(a) Computation time