mp-772497/Er4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr2566.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3085.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2566.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22387.png

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

Summary

../../_images/fig_times4259.png

(a) Computation time