mp-771306/Dy2P4O13/harm

Harmonic properties

../../_images/fig_bandos_pr2487.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2971.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2487.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22308.png

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

Summary

../../_images/fig_times4124.png

(a) Computation time