mp-558958/H2O/harm

Harmonic properties

../../_images/fig_bandos_pr7819.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10976.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7819.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27582.png

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

Summary

../../_images/fig_times13792.png

(a) Computation time