mp-18108-2/Dy4B6O15/harm

Equation of state

../../_images/fig_bm6883.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13778.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18159.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13778.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213406.png

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

Summary

../../_images/fig_times23102.png

(a) Computation time