mp-557662-2/Ca2Mg5Si8O22F2/harm

Equation of state

../../_images/fig_bm4174.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8151.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11463.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8151.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27913.png

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

Summary

../../_images/fig_times14351.png

(a) Computation time