mp-541732/Al3Pb5F19/harm

Harmonic properties

../../_images/fig_bandos_pr9552.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13369.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9552.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29313.png

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

Summary

../../_images/fig_times16623.png

(a) Computation time