mp-24097/Mg3Si2H4O9/harm

Harmonic properties

../../_images/fig_bandos_pr12332.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16545.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12332.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212031.png

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

Summary

../../_images/fig_times20927.png

(a) Computation time