mp-752824-2/VOF3/harm

Harmonic properties

../../_images/fig_bandos_pr3955.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5262.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3955.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23768.png

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

Summary

../../_images/fig_times6852.png

(a) Computation time