mp-568301/BiBr3/harm

Harmonic properties

../../_images/fig_bandos_pr7266.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10250.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7266.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27032.png

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

Summary

../../_images/fig_times12905.png

(a) Computation time