mp-989576/YWN3/harm

Harmonic properties

../../_images/fig_bandos_pr834.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos741.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo834.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2731.png

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

Summary

../../_images/fig_times1239.png

(a) Computation time