mp-758873-2/Cr2O5F2/harm

Harmonic properties

../../_images/fig_bandos_pr3013.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3857.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3013.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22833.png

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

Summary

../../_images/fig_times5158.png

(a) Computation time