mp-703459-2/H2O/harm

Harmonic properties

../../_images/fig_bandos_pr4428.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6183.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4428.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24241.png

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

Summary

../../_images/fig_times7870.png

(a) Computation time