mp-18108/Dy4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr13777.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18158.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13777.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213405.png

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

Summary

../../_images/fig_times23101.png

(a) Computation time