mp-1227260/CaBiNO5/harm

Harmonic properties

../../_images/fig_bandos_pr15111.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19482.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15110.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214726.png

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

Summary

../../_images/fig_times25008.png

(a) Computation time