mp-781081/VOF3/harm

Harmonic properties

../../_images/fig_bandos_pr2004.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2047.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2004.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21827.png

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

Summary

../../_images/fig_times3076.png

(a) Computation time