mp-758196/Mg3As2O8/harm

Harmonic properties

../../_images/fig_bandos_pr3233.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4270.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3233.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23052.png

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

Summary

../../_images/fig_times5598.png

(a) Computation time