mp-696815-2/AlH4NF4/harm

Harmonic properties

../../_images/fig_bandos_pr4925.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6875.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4925.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24734.png

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

Summary

../../_images/fig_times8740.png

(a) Computation time