mp-28043/Tl3AgI5/harm

Harmonic properties

../../_images/fig_bandos_pr12016.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12016.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211719.png

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

Summary

../../_images/fig_times20367.png

(a) Computation time