mp-1019560/Ca2B2O5/harm

Harmonic properties

../../_images/fig_bandos_pr56.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos59.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo56.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc255.png

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

Summary

../../_images/fig_times97.png

(a) Computation time