mp-561236/Pb13Cl6O10/harm

Harmonic properties

../../_images/fig_bandos_pr7345.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10340.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7345.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27109.png

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

Summary

../../_images/fig_times13025.png

(a) Computation time