mp-10486-2/Cd2As2O7/harm

Harmonic properties

../../_images/fig_bandos_pr587.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos513.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo587.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2505.png

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

Summary

../../_images/fig_times863.png

(a) Computation time