mp-626716/KHO/harm

Harmonic properties

../../_images/fig_bandos_pr5802.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5802.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25598.png

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

Summary

../../_images/fig_times10561.png

(a) Computation time