mp-6094/Ca2MgSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr6631.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9522.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6631.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26421.png

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

Summary

../../_images/fig_times11890.png

(a) Computation time