mp-643081/Fe2C9O9/harm

Harmonic properties

../../_images/fig_bandos_pr5474.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7876.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5474.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25279.png

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

Summary

../../_images/fig_times9902.png

(a) Computation time