mp-1041524/CaBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17200.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21644.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17199.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216741.png

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

Summary

../../_images/fig_times28113.png

(a) Computation time