mp-997033-2/AuBrO2/harm

Equation of state

../../_images/fig_bm345.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr937.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos881.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo937.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2828.png

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

Summary

../../_images/fig_times1402.png

(a) Computation time