mp-1205553/Sr2LuTaO6/harm

Harmonic properties

../../_images/fig_bandos_pr15414.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19791.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15413.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215017.png

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

Summary

../../_images/fig_times25490.png

(a) Computation time