mp-752484/YbB4O7/harm

Harmonic properties

../../_images/fig_bandos_pr3901.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5178.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3901.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23714.png

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

Summary

../../_images/fig_times6755.png

(a) Computation time