mp-530826-2/Mg7Al22O40/harm

Harmonic properties

../../_images/fig_bandos_pr9640.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13472.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9640.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29401.png

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

Summary

../../_images/fig_times16764.png

(a) Computation time