mp-626361/PrH3O3/harm

Harmonic properties

../../_images/fig_bandos_pr5773.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8364.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5773.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25569.png

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

Summary

../../_images/fig_times10479.png

(a) Computation time