mp-4941-2/Sr2SnO4/harm

Equation of state

../../_images/fig_bm5105.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10175.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10175.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29927.png

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

Summary

../../_images/fig_times17625.png

(a) Computation time