mp-1020125/MgSiO3/harm

Harmonic properties

../../_images/fig_bandos_pr84.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos98.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo84.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc283.png

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

Summary

../../_images/fig_times147.png

(a) Computation time