mp-23558/Ag2BiO3/harm

Equation of state

../../_images/fig_bm6360.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12742.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17128.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12742.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212438.png

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

Summary

../../_images/fig_times21625.png

(a) Computation time