mp-560456/Hg2Te2O7/harm

Harmonic properties

../../_images/fig_bandos_pr7496.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10558.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7496.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27260.png

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

Summary

../../_images/fig_times13279.png

(a) Computation time