mp-555867/BaNb2Bi2O9/harm

Harmonic properties

../../_images/fig_bandos_pr8696.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12219.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8696.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28457.png

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

Summary

../../_images/fig_times15236.png

(a) Computation time