mp-766572/Mg3P2H16O16/harm

Harmonic properties

../../_images/fig_bandos_pr2776.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3418.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2776.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22597.png

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

Summary

../../_images/fig_times4659.png

(a) Computation time