mp-571582-3/TlHg3Sb2Br3/harm

Equation of state

../../_images/fig_bm3576.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6677.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9592.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6677.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26467.png

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

Summary

../../_images/fig_times11976.png

(a) Computation time