mp-557662/Ca2Mg5Si8O22F2/harm

Harmonic properties

../../_images/fig_bandos_pr8150.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11462.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8150.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27912.png

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

Summary

../../_images/fig_times14350.png

(a) Computation time