mp-1078676/Tl2SnHgSe4/harm

Harmonic properties

../../_images/fig_bandos_pr16889.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21203.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16888.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216443.png

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

Summary

../../_images/fig_times27547.png

(a) Computation time