mp-759725-2/VOF3/harm

Equation of state

../../_images/fig_bm1368.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3992.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3081.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22901.png

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

Summary

../../_images/fig_times5299.png

(a) Computation time