mp-752484-2/YbB4O7/harm

Equation of state

../../_images/fig_bm1907.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3902.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5179.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3902.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23715.png

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

Summary

../../_images/fig_times6756.png

(a) Computation time