mp-732341/Pb7Cl2O8/harm

Harmonic properties

../../_images/fig_bandos_pr4059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5433.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4059.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23872.png

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

Summary

../../_images/fig_times7047.png

(a) Computation time