mp-1096845/BaAgO2/harm

Harmonic properties

../../_images/fig_bandos_pr16717.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16716.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216286.png

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

Summary

../../_images/fig_times27307.png

(a) Computation time