mp-530748-2/MgAl2O4/harm

Harmonic properties

../../_images/fig_bandos_pr9639.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13469.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9639.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29400.png

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

Summary

../../_images/fig_times16761.png

(a) Computation time