mp-14506-2/Al7Te10/harm

Harmonic properties

../../_images/fig_bandos_pr14826.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19194.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14826.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214444.png

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

Summary

../../_images/fig_times24605.png

(a) Computation time