mp-1227736/BaSrSn2O6/harm

Harmonic properties

../../_images/fig_bandos_pr15130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19508.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15129.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214745.png

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

Summary

../../_images/fig_times25042.png

(a) Computation time