mp-13563-2/YP5O14/harm

Harmonic properties

../../_images/fig_bandos_pr14898.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19266.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14898.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214515.png

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

Summary

../../_images/fig_times24709.png

(a) Computation time