mp-756578/LaMgI5/harm

Harmonic properties

../../_images/fig_bandos_pr3324.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo3324.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc23143.png

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

Summary

../../_images/fig_times5756.png

(a) Computation time