mp-1044682/CaBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17039.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21375.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17038.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216591.png

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

Summary

../../_images/fig_times27774.png

(a) Computation time