mp-753794-2/Hf2P2O9/harm

Harmonic properties

../../_images/fig_bandos_pr3742.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4989.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3742.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23557.png

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

Summary

../../_images/fig_times6495.png

(a) Computation time