mp-1080677/Tl2Se3/harm

Harmonic properties

../../_images/fig_bandos_pr16993.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21302.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16992.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216545.png

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

Summary

../../_images/fig_times27693.png

(a) Computation time