mp-754628-2/WN2/harm

Harmonic properties

../../_images/fig_bandos_pr3564.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4783.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3564.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23382.png

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

Summary

../../_images/fig_times6211.png

(a) Computation time