mp-554994/Ta2Tl3Cu3S8/harm

Harmonic properties

../../_images/fig_bandos_pr8812.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8812.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28573.png

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

Summary

../../_images/fig_times15451.png

(a) Computation time