mp-1019563/Ca2SiO4/harm

Harmonic properties

../../_images/fig_bandos_pr59.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos62.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo59.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc258.png

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

Summary

../../_images/fig_times100.png

(a) Computation time