mp-27451/Tl3PbBr5/harm

Harmonic properties

../../_images/fig_bandos_pr12099.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16183.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211800.png

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

Summary

../../_images/fig_times20500.png

(a) Computation time