mp-12295-2/Sr3La2B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr15597.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20006.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15596.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215192.png

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

Summary

../../_images/fig_times25761.png

(a) Computation time