mp-23089/SrTa2Bi2O9/harm

Harmonic properties

../../_images/fig_bandos_pr12871.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17265.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12871.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212567.png

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

Summary

../../_images/fig_times21804.png

(a) Computation time