mp-32959-2/H2O/harm

Harmonic properties

../../_images/fig_bandos_pr10799.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14718.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10799.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210528.png

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

Summary

../../_images/fig_times18506.png

(a) Computation time