mp-696735/H2O/harm

Harmonic properties

../../_images/fig_bandos_pr4913.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6863.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4913.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24722.png

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

Summary

../../_images/fig_times8724.png

(a) Computation time