mp-1440576/DyNbO4/harm

Harmonic properties

../../_images/fig_bandos_pr14576.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14576.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214195.png

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

Summary

../../_images/fig_times24257.png

(a) Computation time