mp-1048033/Sr2AlGaSn2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17100.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21487.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216652.png

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

Summary

../../_images/fig_times27898.png

(a) Computation time