mp-2452/P2O5/harm

Harmonic properties

../../_images/fig_bandos_pr13208.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17598.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13208.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212864.png

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

Summary

../../_images/fig_times22294.png

(a) Computation time