mp-1103650/RbCu2I3/harm

Harmonic properties

../../_images/fig_bandos_pr16587.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20963.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16586.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216161.png

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

Summary

../../_images/fig_times27135.png

(a) Computation time