mp-12867-2/SrSnO3/harm

Equation of state

../../_images/fig_bm7669.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15710.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20075.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15709.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215305.png

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

Summary

../../_images/fig_times25891.png

(a) Computation time