mp-556117/Ga3Pb5F19/harm

Harmonic properties

../../_images/fig_bandos_pr8764.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12330.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8764.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28525.png

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

Summary

../../_images/fig_times15359.png

(a) Computation time