mp-866003/ErI3/harm

Harmonic properties

../../_images/fig_bandos_pr1585.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1512.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1585.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21422.png

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

Summary

../../_images/fig_times2378.png

(a) Computation time