mp-1106277/ErAl3B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr16265.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16264.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215858.png

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

Summary

../../_images/fig_times26762.png

(a) Computation time