mp-561157/Sr3Y2B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr7329.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10314.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7329.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27093.png

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

Summary

../../_images/fig_times12999.png

(a) Computation time