mp-1106089/Ba2InGaO5/harm

Harmonic properties

../../_images/fig_bandos_pr16256.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20701.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16255.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215849.png

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

Summary

../../_images/fig_times26751.png

(a) Computation time