mp-30321/Y2P4O13/harm

Harmonic properties

../../_images/fig_bandos_pr11105.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15059.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11105.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210827.png

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

Summary

../../_images/fig_times18988.png

(a) Computation time