mp-36940/MgC2N2/harm

Harmonic properties

../../_images/fig_bandos_pr10574.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo10574.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc210310.png

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

Summary

../../_images/fig_times18177.png

(a) Computation time