mp-556282/Ba2AlInO5/harm

Harmonic properties

../../_images/fig_bandos_pr8491.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11930.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8491.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28253.png

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

Summary

../../_images/fig_times14901.png

(a) Computation time