mp-753955/K3H8RhC4Cl2O12/harm

Harmonic properties

../../_images/fig_bandos_pr3774.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5024.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3774.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23589.png

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

Summary

../../_images/fig_times6539.png

(a) Computation time