mp-1042155/ZnTe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21669.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17211.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216753.png

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

Summary

../../_images/fig_times28142.png

(a) Computation time