mp-759725/VOF3/harm

Harmonic properties

../../_images/fig_bandos_pr3080.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3991.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22900.png

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

Summary

../../_images/fig_times5298.png

(a) Computation time