mp-754730/SrCaI4/harm

Harmonic properties

../../_images/fig_bandos_pr3583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4806.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23401.png

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

Summary

../../_images/fig_times6242.png

(a) Computation time