mp-569869/SrAl2Cl8/harm

Harmonic properties

../../_images/fig_bandos_pr7068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10044.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7068.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26844.png

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

Summary

../../_images/fig_times12616.png

(a) Computation time