mp-542463-2/MgAl2Cl8/harm

Equation of state

../../_images/fig_bm4679.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9317.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13060.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9317.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29079.png

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

Summary

../../_images/fig_times16234.png

(a) Computation time