mp-24638-2/Mg3P2H16O16/harm

Equation of state

../../_images/fig_bm6183.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12460.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16764.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12460.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212159.png

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

Summary

../../_images/fig_times21175.png

(a) Computation time