mp-766292/DyY7O12/harm

Harmonic properties

../../_images/fig_bandos_pr2755.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3382.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2755.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22576.png

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

Summary

../../_images/fig_times4615.png

(a) Computation time