mp-643573/Mg3MnH7/harm

Harmonic properties

../../_images/fig_bandos_pr5509.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7917.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5509.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25311.png

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

Summary

../../_images/fig_times9957.png

(a) Computation time