mp-17822-2/Dy2MoO6/harm

Harmonic properties

../../_images/fig_bandos_pr14026.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14026.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213654.png

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

Summary

../../_images/fig_times23475.png

(a) Computation time