mp-603406/CoH21C2N6Cl2O5/harm

Harmonic properties

../../_images/fig_bandos_pr6258.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9113.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6258.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26048.png

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

Summary

../../_images/fig_times11358.png

(a) Computation time