mp-769297/Sr5Ta4O15/harm

Harmonic properties

../../_images/fig_bandos_pr2667.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3234.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2667.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22488.png

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

Summary

../../_images/fig_times4443.png

(a) Computation time