mp-28940/Sr4Nb2O9/harm

Equation of state

../../_images/fig_bm5533.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11330.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11330.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211046.png

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

Summary

../../_images/fig_times19337.png

(a) Computation time