mp-699284-2/Li2HN/harm

Harmonic properties

../../_images/fig_bandos_pr4758.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6618.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4758.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24569.png

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

Summary

../../_images/fig_times8434.png

(a) Computation time