mp-735424/Ru2C7S10N10Cl8O6/harm

Harmonic properties

../../_images/fig_bandos_pr4101.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5532.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4101.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23914.png

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

Summary

../../_images/fig_times7149.png

(a) Computation time