mp-1020740/YBe2B5O11/harm

Harmonic properties

../../_images/fig_bandos_pr134.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos170.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo134.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2133.png

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

Summary

../../_images/fig_times235.png

(a) Computation time