mp-542737-2/TiZn2O4/harm

Equation of state

../../_images/fig_bm4691.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9342.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13097.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9342.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29104.png

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

Summary

../../_images/fig_times16277.png

(a) Computation time