mp-674972-2/Rb6Pb5Cl16/harm

Harmonic properties

../../_images/fig_bandos_pr5198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7413.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25003.png

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

Summary

../../_images/fig_times9344.png

(a) Computation time