mp-23137/Ba2YBiO6/harm

Harmonic properties

../../_images/fig_bandos_pr12906.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17295.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12906.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212602.png

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

Summary

../../_images/fig_times21845.png

(a) Computation time