mp-622613/Rb2FeC5N6O/harm

Harmonic properties

../../_images/fig_bandos_pr5830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25626.png

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

Summary

../../_images/fig_times10621.png

(a) Computation time