mp-686086/Tl9SbTe6/harm

Harmonic properties

../../_images/fig_bandos_pr5025.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7060.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5025.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24830.png

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

Summary

../../_images/fig_times8953.png

(a) Computation time