mp-759031/Bi19O27F3/harm

Harmonic properties

../../_images/fig_bandos_pr3028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3882.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22848.png

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

Summary

../../_images/fig_times5184.png

(a) Computation time