mp-1229287/Bi2PbF8/harm

Harmonic properties

../../_images/fig_bandos_pr15160.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19550.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214775.png

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

Summary

../../_images/fig_times25097.png

(a) Computation time