mp-556997/Dy3BWO9/harm

Harmonic properties

../../_images/fig_bandos_pr8346.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11736.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8346.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28108.png

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

Summary

../../_images/fig_times14662.png

(a) Computation time