mp-1042561/Ca2Sn3O8/harm

Harmonic properties

../../_images/fig_bandos_pr17229.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17228.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216770.png

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

Summary

../../_images/fig_times28180.png

(a) Computation time