mp-860969/Sm3Y5O12/harm

Harmonic properties

../../_images/fig_bandos_pr1748.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1763.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1748.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21580.png

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

Summary

../../_images/fig_times2670.png

(a) Computation time