mp-673658/H2O/harm

Harmonic properties

../../_images/fig_bandos_pr5409.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7809.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5409.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25214.png

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

Summary

../../_images/fig_times9807.png

(a) Computation time