mp-12295/Sr3La2B4O12/harm

Equation of state

../../_images/fig_bm7618.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15596.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20005.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215191.png

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

Summary

../../_images/fig_times25760.png

(a) Computation time