mp-760313/VOF3/harm

Harmonic properties

../../_images/fig_bandos_pr2879.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3597.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2879.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22700.png

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

Summary

../../_images/fig_times4871.png

(a) Computation time