mp-13960/Sr3Er2B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr15008.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19364.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15007.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214625.png

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

Summary

../../_images/fig_times24847.png

(a) Computation time