mp-557855/CaGaBO4/harm

Harmonic properties

../../_images/fig_bandos_pr8204.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11536.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8204.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27966.png

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

Summary

../../_images/fig_times14436.png

(a) Computation time