mp-771147/Dy2P4O13/harm

Harmonic properties

../../_images/fig_bandos_pr2481.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2950.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2481.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22302.png

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

Summary

../../_images/fig_times4103.png

(a) Computation time