mp-1046778/Sr2Y2Sn2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17060.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21418.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17059.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216612.png

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

Summary

../../_images/fig_times27819.png

(a) Computation time