mp-28759/Al7Tl3S12/harm

Harmonic properties

../../_images/fig_bandos_pr11622.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15619.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11622.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211334.png

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

Summary

../../_images/fig_times19771.png

(a) Computation time