mp-752824/VOF3/harm

Equation of state

../../_images/fig_bm1939.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3954.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5261.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3954.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23767.png

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

Summary

../../_images/fig_times6851.png

(a) Computation time