mp-769582/Sr5Ta4O15/harm

Harmonic properties

../../_images/fig_bandos_pr2694.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3265.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2694.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22515.png

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

Summary

../../_images/fig_times4486.png

(a) Computation time