mp-34465/Li2HN/harm

Harmonic properties

../../_images/fig_bandos_pr10482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14419.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210224.png

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

Summary

../../_images/fig_times18053.png

(a) Computation time