mp-28940-2/Sr4Nb2O9/harm

Harmonic properties

../../_images/fig_bandos_pr11331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15313.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211047.png

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

Summary

../../_images/fig_times19338.png

(a) Computation time