mp-768572/YAl3O6/harm

Harmonic properties

../../_images/fig_bandos_pr2862.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3553.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2862.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22683.png

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

Summary

../../_images/fig_times4824.png

(a) Computation time