mp-1020117/MgSiO3/harm

Harmonic properties

../../_images/fig_bandos_pr82.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos93.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo82.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc281.png

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

Summary

../../_images/fig_times142.png

(a) Computation time