mp-997022-2/AgAsO2/harm

Equation of state

../../_images/fig_bm341.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr930.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos873.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo930.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2821.png

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

Summary

../../_images/fig_times1393.png

(a) Computation time