mp-771570/Sr2CaI6/harm

Harmonic properties

../../_images/fig_bandos_pr2495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22316.png

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

Summary

../../_images/fig_times4135.png

(a) Computation time