mp-554675-2/SrTa2Bi2O9/harm

Harmonic properties

../../_images/fig_bandos_pr9051.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12759.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9051.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28813.png

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

Summary

../../_images/fig_times15843.png

(a) Computation time