mp-1217030/TiBi2O4F2/harm

Harmonic properties

../../_images/fig_bandos_pr15216.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19596.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15215.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214828.png

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

Summary

../../_images/fig_times25181.png

(a) Computation time