mp-1014910/CrN2/harm

Harmonic properties

../../_images/fig_bandos_pr5.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25.png

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

Summary

../../_images/fig_times12.png

(a) Computation time