mp-23486/RbNiCl3/harm

Harmonic properties

../../_images/fig_bandos_pr12702.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12702.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212398.png

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

Summary

../../_images/fig_times21564.png

(a) Computation time