mp-569207/K2OsNCl5/harm

Harmonic properties

../../_images/fig_bandos_pr7001.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7001.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26778.png

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

Summary

../../_images/fig_times12524.png

(a) Computation time