mp-556826/CaB2O4/harm

Harmonic properties

../../_images/fig_bandos_pr8304.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11681.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8304.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28066.png

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

Summary

../../_images/fig_times14595.png

(a) Computation time