mp-721049/H16RhN5Cl2O8/harm

Harmonic properties

../../_images/fig_bandos_pr4317.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6089.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4317.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24130.png

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

Summary

../../_images/fig_times7728.png

(a) Computation time