mp-554094/CaMg2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr9264.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12985.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9264.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29026.png

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

Summary

../../_images/fig_times16145.png

(a) Computation time