mp-14890/Rb9Fe2S7/harm

Harmonic properties

../../_images/fig_bandos_pr14549.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18903.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14549.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214168.png

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

Summary

../../_images/fig_times24210.png

(a) Computation time