mp-764274-2/VOF3/harm

Equation of state

../../_images/fig_bm1281.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2980.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3768.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2980.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22800.png

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

Summary

../../_images/fig_times5063.png

(a) Computation time