mp-1223463/KCNO/harm

Harmonic properties

../../_images/fig_bandos_pr15344.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19717.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15343.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214949.png

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

Summary

../../_images/fig_times25377.png

(a) Computation time