mp-23089-2/SrTa2Bi2O9/harm

Equation of state

../../_images/fig_bm6430.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12872.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17266.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12872.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212568.png

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

Summary

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(a) Computation time