mp-569813/In5AgTe8/harm

Harmonic properties

../../_images/fig_bandos_pr7063.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10038.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7063.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26839.png

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

Summary

../../_images/fig_times12608.png

(a) Computation time