mp-996944/Cs2TlInBr6/harm

Harmonic properties

../../_images/fig_bandos_pr900.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos824.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo900.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2794.png

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

Summary

../../_images/fig_times1338.png

(a) Computation time