mp-1216567/TlIn3Se4/harm

Harmonic properties

../../_images/fig_bandos_pr15206.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19585.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15205.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214818.png

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

Summary

../../_images/fig_times25165.png

(a) Computation time