mp-999498-2/N2/harm

Harmonic properties

../../_images/fig_bandos_pr782.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos687.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo782.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2683.png

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

Summary

../../_images/fig_times1177.png

(a) Computation time