mp-1190898/Bi7O5F11/harm

Harmonic properties

../../_images/fig_bandos_pr16026.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20442.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16025.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215621.png

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

Summary

../../_images/fig_times26381.png

(a) Computation time