mp-550579/ScTaPb2O6/harm

Harmonic properties

../../_images/fig_bandos_pr9116.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12830.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9116.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28878.png

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

Summary

../../_images/fig_times15934.png

(a) Computation time