mp-758196-2/Mg3As2O8/harm

Equation of state

../../_images/fig_bm1495.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3234.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4271.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3234.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23053.png

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

Summary

../../_images/fig_times5599.png

(a) Computation time