mp-675989-2/Tl9BiSe6/harm

Harmonic properties

../../_images/fig_bandos_pr5281.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7542.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5281.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25086.png

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

Summary

../../_images/fig_times9505.png

(a) Computation time