mp-772032/Sr2LaI7/harm

Harmonic properties

../../_images/fig_bandos_pr2520.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3021.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2520.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22341.png

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

Summary

../../_images/fig_times4180.png

(a) Computation time