mp-10486/Cd2As2O7/harm

Equation of state

../../_images/fig_bm199.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr586.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos512.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo586.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2504.png

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

Summary

../../_images/fig_times862.png

(a) Computation time