mp-542463/MgAl2Cl8/harm

Harmonic properties

../../_images/fig_bandos_pr9316.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13059.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9316.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29078.png

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

Summary

../../_images/fig_times16233.png

(a) Computation time