mp-677780/Ca2MgSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7285.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5128.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24933.png

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

Summary

../../_images/fig_times9194.png

(a) Computation time