mp-30519/Tl3PbCl5/harm

Harmonic properties

../../_images/fig_bandos_pr11112.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15063.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11112.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210830.png

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

Summary

../../_images/fig_times18996.png

(a) Computation time