mp-24638/Mg3P2H16O16/harm

Harmonic properties

../../_images/fig_bandos_pr12459.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16763.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12459.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212158.png

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

Summary

../../_images/fig_times21174.png

(a) Computation time