mp-699232-2/Mg7P2H8O16/harm

Harmonic properties

../../_images/fig_bandos_pr4754.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6613.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4754.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24565.png

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

Summary

../../_images/fig_times8429.png

(a) Computation time