mp-722891-2/Na2NiH14N6/harm

Harmonic properties

../../_images/fig_bandos_pr4172.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5709.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4172.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23985.png

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

Summary

../../_images/fig_times7330.png

(a) Computation time