mp-561133-2/Sr5Nb4O15/harm

Equation of state

../../_images/fig_bm3872.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7324.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10305.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7324.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27088.png

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

Summary

../../_images/fig_times12990.png

(a) Computation time