mp-997028-2/AgO2F/harm

Equation of state

../../_images/fig_bm344.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr935.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos879.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo935.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2826.png

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

Summary

../../_images/fig_times1400.png

(a) Computation time