mp-683792/Fe2OsC12O12/harm

Harmonic properties

../../_images/fig_bandos_pr4962.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6928.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4962.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24769.png

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

Summary

../../_images/fig_times8802.png

(a) Computation time