mp-997011-2/CuBrO2/harm

Equation of state

../../_images/fig_bm335.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr922.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos861.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo922.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2813.png

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

Summary

../../_images/fig_times1381.png

(a) Computation time