mp-754979-2/Y3AlO6/harm

Harmonic properties

../../_images/fig_bandos_pr3631.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4858.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3631.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23448.png

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

Summary

../../_images/fig_times6315.png

(a) Computation time