mp-1223509/KCSN/harm

Harmonic properties

../../_images/fig_bandos_pr15346.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19720.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15345.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214951.png

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

Summary

../../_images/fig_times25381.png

(a) Computation time