mp-13960-2/Sr3Er2B4O12/harm

Equation of state

../../_images/fig_bm7529.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15009.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19365.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15008.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214626.png

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

Summary

../../_images/fig_times24848.png

(a) Computation time