mp-766276/Ba2In2O5/harm

Harmonic properties

../../_images/fig_bandos_pr2753.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3380.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2753.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22574.png

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

Summary

../../_images/fig_times4613.png

(a) Computation time