mp-557322/Bi4Te2Br2O9/harm

Harmonic properties

../../_images/fig_bandos_pr8411.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11819.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8411.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28173.png

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

Summary

../../_images/fig_times14767.png

(a) Computation time