mp-781081-2/VOF3/harm

Equation of state

../../_images/fig_bm844.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2005.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2005.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21828.png

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

Summary

../../_images/fig_times3077.png

(a) Computation time