mp-675989/Tl9BiSe6/harm

Equation of state

../../_images/fig_bm2580.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7541.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25085.png

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

Summary

../../_images/fig_times9504.png

(a) Computation time