mp-12231-2/SnTe3O8/harm

Harmonic properties

../../_images/fig_bandos_pr15577.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15576.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215172.png

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

Summary

../../_images/fig_times25736.png

(a) Computation time