mp-557911/Al3Pb5F19/harm

Harmonic properties

../../_images/fig_bandos_pr8216.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11554.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8216.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27978.png

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

Summary

../../_images/fig_times14456.png

(a) Computation time