mp-866658/H16RhN5Cl6O3/harm

Harmonic properties

../../_images/fig_bandos_pr1623.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1562.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1623.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21456.png

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

Summary

../../_images/fig_times2444.png

(a) Computation time