mp-1219284/ScNbPb2O6/harm

Harmonic properties

../../_images/fig_bandos_pr15270.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19647.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15269.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214880.png

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

Summary

../../_images/fig_times25265.png

(a) Computation time