mp-647969/CoAgC4O4/harm

Harmonic properties

../../_images/fig_bandos_pr5599.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8006.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5599.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25400.png

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

Summary

../../_images/fig_times10088.png

(a) Computation time