mp-554364/MgBeAl4O8/harm

Harmonic properties

../../_images/fig_bandos_pr8980.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12662.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8980.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28741.png

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

Summary

../../_images/fig_times15733.png

(a) Computation time