mp-645282/Al3Bi5Br12/harm

Harmonic properties

../../_images/fig_bandos_pr5581.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7984.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5581.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25382.png

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

Summary

../../_images/fig_times10061.png

(a) Computation time