mp-562613/P2O5/harm

Harmonic properties

../../_images/fig_bandos_pr7466.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10512.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7466.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27230.png

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

Summary

../../_images/fig_times13228.png

(a) Computation time