mp-530852/Mg2SiO4/harm

Harmonic properties

../../_images/fig_bandos_pr9641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13473.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29402.png

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

Summary

../../_images/fig_times16765.png

(a) Computation time