mp-1020621/RbBe2B3O7/harm

Harmonic properties

../../_images/fig_bandos_pr110.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos126.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo110.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2109.png

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

Summary

../../_images/fig_times185.png

(a) Computation time